AI64553
956189-58-5 | 4-[(3ar,4s,9bs)-6-Ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI64553
ChemicalName
4-[(3ar,4s,9bs)-6-Ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
CasNumber
956189-58-5
MolecularFormula
C21H21NO3
MolecularWeight
335.3963
MdlNumber
MFCD07403664
Smiles
CCOc1cccc2c1N[C@H](c1ccc(cc1)C(=O)O)[C@H]1[C@@H]2C=CC1
Complexity
511
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
4.2
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CatalogNumber: AI64553
ChemicalName: 4-[(3ar,4s,9bs)-6-Ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
CasNumber: 956189-58-5
MolecularFormula: C21H21NO3
MolecularWeight: 335.3963
MdlNumber: MFCD07403664
Smiles: CCOc1cccc2c1N[C@H](c1ccc(cc1)C(=O)O)[C@H]1[C@@H]2C=CC1
Complexity: 511
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 4.2
CatalogNumber:
AI64553
ChemicalName:
4-[(3ar,4s,9bs)-6-Ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
CasNumber:
956189-58-5
MolecularFormula:
C21H21NO3
MolecularWeight:
335.3963
MdlNumber:
MFCD07403664
Smiles:
CCOc1cccc2c1N[C@H](c1ccc(cc1)C(=O)O)[C@H]1[C@@H]2C=CC1
Complexity:
511
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
4.2
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Smiles: NCc1ccc(nc1)n1cccn1
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__
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Smiles:
NCc1ccc(nc1)n1cccn1
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Smiles: COc1cccc(c1)c1nn(cc1C(=O)O)c1ccc(cc1)F
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Smiles:
COc1cccc(c1)c1nn(cc1C(=O)O)c1ccc(cc1)F
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__
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__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)c1cn(nc1c1ccc(c(c1)C)C)Cc1ccccc1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cn(nc1c1ccc(c(c1)C)C)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__