AB86729
890842-28-1 | 2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB86729
ChemicalName
2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CasNumber
890842-28-1
MolecularFormula
C25H22N2O2
MolecularWeight
382.4543799999999
MdlNumber
MFCD12828779
Smiles
OC(=O)c1ccc(cc1C1CCCC1)c1c[nH]c2c1cc(cn2)c1ccccc1
Complexity
569
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
6.1
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CatalogNumber: AB86729
ChemicalName: 2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CasNumber: 890842-28-1
MolecularFormula: C25H22N2O2
MolecularWeight: 382.4543799999999
MdlNumber: MFCD12828779
Smiles: OC(=O)c1ccc(cc1C1CCCC1)c1c[nH]c2c1cc(cn2)c1ccccc1
Complexity: 569
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 6.1
CatalogNumber:
AB86729
ChemicalName:
2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CasNumber:
890842-28-1
MolecularFormula:
C25H22N2O2
MolecularWeight:
382.4543799999999
MdlNumber:
MFCD12828779
Smiles:
OC(=O)c1ccc(cc1C1CCCC1)c1c[nH]c2c1cc(cn2)c1ccccc1
Complexity:
569
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
6.1
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Smiles: CCOc1cc(Cl)nc(n1)N
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CCOc1cc(Cl)nc(n1)N
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Smiles: Clc1cccc(c1)CS(=O)(=O)N
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Smiles:
Clc1cccc(c1)CS(=O)(=O)N
Complexity:
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Smiles: CCC(=O)c1cc(OC)cc(c1)Cl
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)c1cc(OC)cc(c1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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