AA77748
1557267-42-1 | N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
Manufacturer: A2B Chem
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CatalogNumber
AA77748
ChemicalName
N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
CasNumber
1557267-42-1
MolecularFormula
C26H26FN7O2
MolecularWeight
487.5287
MdlNumber
MFCD29089376
Smiles
C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2
Complexity
752
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
7
Xlogp3
4.2
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CatalogNumber: AA77748
ChemicalName: N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
CasNumber: 1557267-42-1
MolecularFormula: C26H26FN7O2
MolecularWeight: 487.5287
MdlNumber: MFCD29089376
Smiles: C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2
Complexity: 752
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 7
Xlogp3: 4.2
CatalogNumber:
AA77748
ChemicalName:
N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
CasNumber:
1557267-42-1
MolecularFormula:
C26H26FN7O2
MolecularWeight:
487.5287
MdlNumber:
MFCD29089376
Smiles:
C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2
Complexity:
752
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
7
Xlogp3:
4.2
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Smiles: OC(=O)c1nn(c2c1CCC(C2)(C)C)COCC[Si](C)(C)C
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Smiles:
OC(=O)c1nn(c2c1CCC(C2)(C)C)COCC[Si](C)(C)C
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Smiles: Clc1cn2ccnc2c(c1)C(=O)O
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Clc1cn2ccnc2c(c1)C(=O)O
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Smiles: CC(c1cccc(c1)C(C)(C)C)Br
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Smiles:
CC(c1cccc(c1)C(C)(C)C)Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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