AB20210
210644-62-5 | 3-(2,4-Dimethyl-5-{[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB20210
ChemicalName
3-(2,4-Dimethyl-5-{[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
CasNumber
210644-62-5
MolecularFormula
C18H18N2O3
MolecularWeight
310.3471
MdlNumber
MFCD09743433
Smiles
OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1C(=O)Nc2c1cccc2
NscNumber
702827
Complexity
516
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AB20210
ChemicalName: 3-(2,4-Dimethyl-5-{[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
CasNumber: 210644-62-5
MolecularFormula: C18H18N2O3
MolecularWeight: 310.3471
MdlNumber: MFCD09743433
Smiles: OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1C(=O)Nc2c1cccc2
NscNumber: 702827
Complexity: 516
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AB20210
ChemicalName:
3-(2,4-Dimethyl-5-{[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
CasNumber:
210644-62-5
MolecularFormula:
C18H18N2O3
MolecularWeight:
310.3471
MdlNumber:
MFCD09743433
Smiles:
OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1C(=O)Nc2c1cccc2
NscNumber:
702827
Complexity:
516
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
2.2
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Smiles: CNC(=O)c1cc(on1)CO
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CNC(=O)c1cc(on1)CO
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Smiles: Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1cnn(c1O)C
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Smiles:
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1cnn(c1O)C
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Smiles: CC1=Cc2c(C1)cccc2Cl
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC1=Cc2c(C1)cccc2Cl
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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