AD52991
139481-59-7 | Candesartan
Manufacturer: A2B Chem
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CatalogNumber
AD52991
ChemicalName
Candesartan
CasNumber
139481-59-7
MolecularFormula
C24H20N6O3
MolecularWeight
440.454
MdlNumber
MFCD00864463
Smiles
CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O
NscNumber
759858
Complexity
660
Covalently-bondedUnitCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
4.1
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CatalogNumber: AD52991
ChemicalName: Candesartan
CasNumber: 139481-59-7
MolecularFormula: C24H20N6O3
MolecularWeight: 440.454
MdlNumber: MFCD00864463
Smiles: CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O
NscNumber: 759858
Complexity: 660
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 4.1
CatalogNumber:
AD52991
ChemicalName:
Candesartan
CasNumber:
139481-59-7
MolecularFormula:
C24H20N6O3
MolecularWeight:
440.454
MdlNumber:
MFCD00864463
Smiles:
CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O
NscNumber:
759858
Complexity:
660
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
4.1
CatalogNumber: __
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Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)N
NscNumber: __
Complexity: __
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Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)N
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Smiles: c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[n-]c1cc4)c1ccccc1)C=C3)c1ccccc1)[n-]2)c1ccccc1.[Cu+2]
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Smiles:
c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[n-]c1cc4)c1ccccc1)C=C3)c1ccccc1)[n-]2)c1ccccc1.[Cu+2]
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: OC(COc1ccc(cc1)CC(=O)N)COc1ccc(cc1)CC(=O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(COc1ccc(cc1)CC(=O)N)COc1ccc(cc1)CC(=O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__