AC33984
850140-72-6 | Afatinib
Manufacturer: A2B Chem
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CatalogNumber
AC33984
ChemicalName
Afatinib
CasNumber
850140-72-6
MolecularFormula
C24H25ClFN5O3
MolecularWeight
485.9384
MdlNumber
MFCD12407405
Smiles
CN(C/C=C/C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)C
NscNumber
750691
Complexity
702
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
3.6
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CatalogNumber: AC33984
ChemicalName: Afatinib
CasNumber: 850140-72-6
MolecularFormula: C24H25ClFN5O3
MolecularWeight: 485.9384
MdlNumber: MFCD12407405
Smiles: CN(C/C=C/C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)C
NscNumber: 750691
Complexity: 702
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 3.6
CatalogNumber:
AC33984
ChemicalName:
Afatinib
CasNumber:
850140-72-6
MolecularFormula:
C24H25ClFN5O3
MolecularWeight:
485.9384
MdlNumber:
MFCD12407405
Smiles:
CN(C/C=C/C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)C
NscNumber:
750691
Complexity:
702
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
3.6
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Smiles: CCCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCCCCCC)(COC(=O)CCCCCCCC1OC1CCCCCCCC)COC(=O)CCCCCCCC1OC1CCCCCCCC
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Smiles:
CCCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCCCCCC)(COC(=O)CCCCCCCC1OC1CCCCCCCC)COC(=O)CCCCCCCC1OC1CCCCCCCC
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Smiles: Cc1ccc(cc1)S(=O)(=O)[O-].ClCC(C[N+](CC(CCl)O)(CC)CC)O
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Smiles:
Cc1ccc(cc1)S(=O)(=O)[O-].ClCC(C[N+](CC(CCl)O)(CC)CC)O
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__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HydrogenBondAcceptorCount:
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__
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Smiles: Nc1nnc(s1)c1ccccc1O
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__
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Smiles:
Nc1nnc(s1)c1ccccc1O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__