AD24792
211915-84-3 | 3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD24792
ChemicalName
3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
CasNumber
211915-84-3
MolecularFormula
C27H26N6O3
MolecularWeight
482.5337
MdlNumber
MFCD09833627
Smiles
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C#N)c1ccccn1
Complexity
792
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
10
Xlogp3
3.1
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CatalogNumber: AD24792
ChemicalName: 3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
CasNumber: 211915-84-3
MolecularFormula: C27H26N6O3
MolecularWeight: 482.5337
MdlNumber: MFCD09833627
Smiles: CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C#N)c1ccccn1
Complexity: 792
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 10
Xlogp3: 3.1
CatalogNumber:
AD24792
ChemicalName:
3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester
CasNumber:
211915-84-3
MolecularFormula:
C27H26N6O3
MolecularWeight:
482.5337
MdlNumber:
MFCD09833627
Smiles:
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C#N)c1ccccn1
Complexity:
792
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
10
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCOC(=O)N/N=C/c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC
Complexity: 1000
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.7
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MolecularFormula:
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Smiles:
CCCCCCOC(=O)N/N=C/c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC
Complexity:
1000
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.7
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Smiles: CC(=O)NC(Cc1ccc2c(c1)cccc2)(C)C
Complexity: __
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Smiles:
CC(=O)NC(Cc1ccc2c(c1)cccc2)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CCCCCCCCCCCCCCCCc1cc(O)c(cc1O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCCCCCCCCCCCCCc1cc(O)c(cc1O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__