AE35412
1421372-67-9 | N1-(2-(Dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-2-nitrobenzene-1,4-diamine
Manufacturer: A2B Chem
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CatalogNumber
AE35412
ChemicalName
N1-(2-(Dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-2-nitrobenzene-1,4-diamine
CasNumber
1421372-67-9
MolecularFormula
C25H29N7O3
MolecularWeight
475.5429
MdlNumber
MFCD28167947
Smiles
COc1cc(N(CCN(C)C)C)c(cc1Nc1nccc(n1)c1cn(c2c1cccc2)C)[N+](=O)[O-]
Complexity
693
Covalently-bondedUnitCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
3.8
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CatalogNumber: AE35412
ChemicalName: N1-(2-(Dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-2-nitrobenzene-1,4-diamine
CasNumber: 1421372-67-9
MolecularFormula: C25H29N7O3
MolecularWeight: 475.5429
MdlNumber: MFCD28167947
Smiles: COc1cc(N(CCN(C)C)C)c(cc1Nc1nccc(n1)c1cn(c2c1cccc2)C)[N+](=O)[O-]
Complexity: 693
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 3.8
CatalogNumber:
AE35412
ChemicalName:
N1-(2-(Dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-2-nitrobenzene-1,4-diamine
CasNumber:
1421372-67-9
MolecularFormula:
C25H29N7O3
MolecularWeight:
475.5429
MdlNumber:
MFCD28167947
Smiles:
COc1cc(N(CCN(C)C)C)c(cc1Nc1nccc(n1)c1cn(c2c1cccc2)C)[N+](=O)[O-]
Complexity:
693
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
3.8
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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O=C1CNCCC1C.Cl
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