AE35956
1351635-67-0 | Ono-4059
Manufacturer: A2B Chem
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CatalogNumber
AE35956
ChemicalName
Ono-4059
CasNumber
1351635-67-0
MolecularFormula
C25H24N6O3
MolecularWeight
456.4964599999999
MdlNumber
MFCD29049511
Smiles
C=CC(=O)N1CCC[C@@H](C1)n1c(=O)n(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1
Complexity
751
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.9
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CatalogNumber: AE35956
ChemicalName: Ono-4059
CasNumber: 1351635-67-0
MolecularFormula: C25H24N6O3
MolecularWeight: 456.4964599999999
MdlNumber: MFCD29049511
Smiles: C=CC(=O)N1CCC[C@@H](C1)n1c(=O)n(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1
Complexity: 751
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AE35956
ChemicalName:
Ono-4059
CasNumber:
1351635-67-0
MolecularFormula:
C25H24N6O3
MolecularWeight:
456.4964599999999
MdlNumber:
MFCD29049511
Smiles:
C=CC(=O)N1CCC[C@@H](C1)n1c(=O)n(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1
Complexity:
751
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(cc1Cl)c1ccn(n1)C[C@@H](NC(=O)c1n[nH]c(c1)C(=O)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(cc1Cl)c1ccn(n1)C[C@@H](NC(=O)c1n[nH]c(c1)C(=O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE35958
ChemicalName: OTS-964
CasNumber: 1338545-07-5
MolecularFormula: C23H25ClN2O2S
MolecularWeight: 428.9748
MdlNumber: MFCD28386220
Smiles: CN(C[C@@H](c1ccc(cc1)c1c(O)cc(c2c1c1ccsc1c(=O)[nH]2)C)C)C.Cl
Complexity: 563
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AE35958
ChemicalName:
OTS-964
CasNumber:
1338545-07-5
MolecularFormula:
C23H25ClN2O2S
MolecularWeight:
428.9748
MdlNumber:
MFCD28386220
Smiles:
CN(C[C@@H](c1ccc(cc1)c1c(O)cc(c2c1c1ccsc1c(=O)[nH]2)C)C)C.Cl
Complexity:
563
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C[C@H](C(=O)OC(C)(C)C)Br)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C[C@H](C(=O)OC(C)(C)C)Br)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__