AH85267
934660-93-2 | Cobimetinib
Manufacturer: A2B Chem
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CatalogNumber
AH85267
ChemicalName
Cobimetinib
CasNumber
934660-93-2
MolecularFormula
C21H21F3IN3O2
MolecularWeight
531.31
MdlNumber
MFCD22124461
Smiles
Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)[C@@H]1CCCCN1
Complexity
624
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
3.9
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CatalogNumber: AH85267
ChemicalName: Cobimetinib
CasNumber: 934660-93-2
MolecularFormula: C21H21F3IN3O2
MolecularWeight: 531.31
MdlNumber: MFCD22124461
Smiles: Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)[C@@H]1CCCCN1
Complexity: 624
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 3.9
CatalogNumber:
AH85267
ChemicalName:
Cobimetinib
CasNumber:
934660-93-2
MolecularFormula:
C21H21F3IN3O2
MolecularWeight:
531.31
MdlNumber:
MFCD22124461
Smiles:
Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)[C@@H]1CCCCN1
Complexity:
624
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
3.9
CatalogNumber: __
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Smiles: Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)C1CCCCN1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)C1CCCCN1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(cc2Cl)NCc1nnn(c1)CCN1CCCCCC1
Complexity: __
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Xlogp3: __
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__
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Smiles:
N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(cc2Cl)NCc1nnn(c1)CCN1CCCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN1CCC(CC1)n1nnc(c1)CNc1cc(Cl)c2c(c1)c(Nc1ccc(c(c1)Cl)F)c(cn2)C#N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN1CCC(CC1)n1nnc(c1)CNc1cc(Cl)c2c(c1)c(Nc1ccc(c(c1)Cl)F)c(cn2)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__