AE11125
1204144-28-4 | (5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AE11125
ChemicalName
(5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione
CasNumber
1204144-28-4
MolecularFormula
C21H21N3O2S
MolecularWeight
379.4753
MdlNumber
MFCD25976757
Smiles
N[C@@H]1CCCN(C1)c1c(cccc1c1ccccc1)/C=C/1SC(=O)NC1=O
Complexity
602
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AE11125
ChemicalName: (5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione
CasNumber: 1204144-28-4
MolecularFormula: C21H21N3O2S
MolecularWeight: 379.4753
MdlNumber: MFCD25976757
Smiles: N[C@@H]1CCCN(C1)c1c(cccc1c1ccccc1)/C=C/1SC(=O)NC1=O
Complexity: 602
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AE11125
ChemicalName:
(5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione
CasNumber:
1204144-28-4
MolecularFormula:
C21H21N3O2S
MolecularWeight:
379.4753
MdlNumber:
MFCD25976757
Smiles:
N[C@@H]1CCCN(C1)c1c(cccc1c1ccccc1)/C=C/1SC(=O)NC1=O
Complexity:
602
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: AE11126
ChemicalName: AZD2461
CasNumber: 1174043-16-3
MolecularFormula: C22H22FN3O3
MolecularWeight: 395.4268
MdlNumber: MFCD24386811
Smiles: COC1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AE11126
ChemicalName:
AZD2461
CasNumber:
1174043-16-3
MolecularFormula:
C22H22FN3O3
MolecularWeight:
395.4268
MdlNumber:
MFCD24386811
Smiles:
COC1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE11127
ChemicalName: Azd4547
CasNumber: 1035270-39-3
MolecularFormula: C26H33N5O3
MolecularWeight: 463.57192
MdlNumber: MFCD22580423
Smiles: COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2C[C@H](C)N[C@@H](C2)C)cc(c1)OC
Complexity: 622
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: __
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 8
Xlogp3: 3.9
CatalogNumber:
AE11127
ChemicalName:
Azd4547
CasNumber:
1035270-39-3
MolecularFormula:
C26H33N5O3
MolecularWeight:
463.57192
MdlNumber:
MFCD22580423
Smiles:
COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2C[C@H](C)N[C@@H](C2)C)cc(c1)OC
Complexity:
622
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
__
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
8
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC1CCC(CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC1CCC(CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__