AA38544
1300031-52-0 | Gsk1324726a
Manufacturer: A2B Chem
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CatalogNumber
AA38544
ChemicalName
Gsk1324726a
CasNumber
1300031-52-0
MolecularFormula
C25H23ClN2O3
MolecularWeight
434.9147
MdlNumber
MFCD28144683
Smiles
Clc1ccc(cc1)N[C@@H]1C[C@H](C)N(c2c1cc(cc2)c1ccc(cc1)C(=O)O)C(=O)C
Complexity
643
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
31
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
5.1
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CatalogNumber: AA38544
ChemicalName: Gsk1324726a
CasNumber: 1300031-52-0
MolecularFormula: C25H23ClN2O3
MolecularWeight: 434.9147
MdlNumber: MFCD28144683
Smiles: Clc1ccc(cc1)N[C@@H]1C[C@H](C)N(c2c1cc(cc2)c1ccc(cc1)C(=O)O)C(=O)C
Complexity: 643
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 5.1
CatalogNumber:
AA38544
ChemicalName:
Gsk1324726a
CasNumber:
1300031-52-0
MolecularFormula:
C25H23ClN2O3
MolecularWeight:
434.9147
MdlNumber:
MFCD28144683
Smiles:
Clc1ccc(cc1)N[C@@H]1C[C@H](C)N(c2c1cc(cc2)c1ccc(cc1)C(=O)O)C(=O)C
Complexity:
643
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
5.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COc1cc2c(cc1c1c(C)noc1C)ncc1c2n(c(=O)[nH]1)[C@@H](c1ccccn1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cc2c(cc1c1c(C)noc1C)ncc1c2n(c(=O)[nH]1)[C@@H](c1ccccn1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Cc1ccn2c(c1)nc(c2C(=O)C(=O)NCc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1ccn2c(c1)nc(c2C(=O)C(=O)NCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(C(=O)O)CCc1ccccc1)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(C(=O)O)CCc1ccccc1)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__