AE35413
1421373-65-0 | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Manufacturer: A2B Chem
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CatalogNumber
AE35413
ChemicalName
N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
CasNumber
1421373-65-0
MolecularFormula
C28H33N7O2
MolecularWeight
499.6073
MdlNumber
MFCD27988062
Smiles
C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC
Complexity
752
Covalently-bondedUnitCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
10
Xlogp3
3.7
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CatalogNumber: AE35413
ChemicalName: N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
CasNumber: 1421373-65-0
MolecularFormula: C28H33N7O2
MolecularWeight: 499.6073
MdlNumber: MFCD27988062
Smiles: C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC
Complexity: 752
Covalently-bondedUnitCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 10
Xlogp3: 3.7
CatalogNumber:
AE35413
ChemicalName:
N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
CasNumber:
1421373-65-0
MolecularFormula:
C28H33N7O2
MolecularWeight:
499.6073
MdlNumber:
MFCD27988062
Smiles:
C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC
Complexity:
752
Covalently-bondedUnitCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
10
Xlogp3:
3.7
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Smiles: C=CC(=O)Nc1cccc(c1)O
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C=CC(=O)Nc1cccc(c1)O
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Smiles: O=C1CNCCC1C.Cl
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Smiles:
O=C1CNCCC1C.Cl
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Smiles: CNC1CN(CCC1C)Cc1ccccc1.Cl.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CNC1CN(CCC1C)Cc1ccccc1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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