AB72481
827318-97-8 | Danusertib
Manufacturer: A2B Chem
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CatalogNumber
AB72481
ChemicalName
Danusertib
CasNumber
827318-97-8
MolecularFormula
C26H30N6O3
MolecularWeight
474.5548
MdlNumber
MFCD12024692
Smiles
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1
Complexity
731
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
1.8
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CatalogNumber: AB72481
ChemicalName: Danusertib
CasNumber: 827318-97-8
MolecularFormula: C26H30N6O3
MolecularWeight: 474.5548
MdlNumber: MFCD12024692
Smiles: CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1
Complexity: 731
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 1.8
CatalogNumber:
AB72481
ChemicalName:
Danusertib
CasNumber:
827318-97-8
MolecularFormula:
C26H30N6O3
MolecularWeight:
474.5548
MdlNumber:
MFCD12024692
Smiles:
CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1
Complexity:
731
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(c1cc(OC)cc(c1)OC)CC(CS(=O)(=O)[O-])O.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(c1cc(OC)cc(c1)OC)CC(CS(=O)(=O)[O-])O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB72483
ChemicalName: Darapladib
CasNumber: 356057-34-6
MolecularFormula: C36H38F4N4O2S
MolecularWeight: 666.7711
MdlNumber: MFCD18251452
Smiles: CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC
Complexity: 1120
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 47
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: __
RotatableBondCount: 13
Xlogp3: 7
CatalogNumber:
AB72483
ChemicalName:
Darapladib
CasNumber:
356057-34-6
MolecularFormula:
C36H38F4N4O2S
MolecularWeight:
666.7711
MdlNumber:
MFCD18251452
Smiles:
CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC
Complexity:
1120
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
47
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
__
RotatableBondCount:
13
Xlogp3:
7
CatalogNumber: AB72484
ChemicalName: H-D-Arg-ome 2hcl
CasNumber: 78851-84-0
MolecularFormula: C7H18Cl2N4O2
MolecularWeight: 261.1494
MdlNumber: MFCD00153417
Smiles: COC(=O)[C@@H](CCCNC(=N)N)N.Cl.Cl
Complexity: 189
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 5
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AB72484
ChemicalName:
H-D-Arg-ome 2hcl
CasNumber:
78851-84-0
MolecularFormula:
C7H18Cl2N4O2
MolecularWeight:
261.1494
MdlNumber:
MFCD00153417
Smiles:
COC(=O)[C@@H](CCCNC(=N)N)N.Cl.Cl
Complexity:
189
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
5
RotatableBondCount:
6
Xlogp3:
__