AH85223
887650-05-7 | N-[3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3s)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide
Manufacturer: A2B Chem
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CatalogNumber
AH85223
ChemicalName
N-[3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3s)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide
CasNumber
887650-05-7
MolecularFormula
C30H31F3N8O
MolecularWeight
576.6153
MdlNumber
MFCD18633200
Smiles
CN([C@H]1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1ncc(cn1)c1cncnc1)C)C
Complexity
864
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
42
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
4.1
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CatalogNumber: AH85223
ChemicalName: N-[3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3s)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide
CasNumber: 887650-05-7
MolecularFormula: C30H31F3N8O
MolecularWeight: 576.6153
MdlNumber: MFCD18633200
Smiles: CN([C@H]1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1ncc(cn1)c1cncnc1)C)C
Complexity: 864
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 4.1
CatalogNumber:
AH85223
ChemicalName:
N-[3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3s)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide
CasNumber:
887650-05-7
MolecularFormula:
C30H31F3N8O
MolecularWeight:
576.6153
MdlNumber:
MFCD18633200
Smiles:
CN([C@H]1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1ncc(cn1)c1cncnc1)C)C
Complexity:
864
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
4.1
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Smiles: Cc1ccc(cc1)C(=O)Nc1noc2c1cccc2
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Smiles:
Cc1ccc(cc1)C(=O)Nc1noc2c1cccc2
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(c1ccc(cc1)CN1CCOCC1)N1CCN(CC1)C1CC1
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DefinedAtomStereocenterCount: __
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MdlNumber:
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Smiles:
O=C(c1ccc(cc1)CN1CCOCC1)N1CCN(CC1)C1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)CN1CCOCC1)N1CCN(CC1)C1CC1.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)CN1CCOCC1)N1CCN(CC1)C1CC1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__