AA77747
1557268-88-8 | N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide maleate
Manufacturer: A2B Chem
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CatalogNumber
AA77747
ChemicalName
N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide maleate
CasNumber
1557268-88-8
MolecularFormula
C30H30FN7O6
MolecularWeight
603.6009
MdlNumber
MFCD30345532
Smiles
OC(=O)C=CC(=O)O.C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2
Complexity
871
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
44
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
5
RotatableBondCount
9
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CatalogNumber: AA77747
ChemicalName: N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide maleate
CasNumber: 1557268-88-8
MolecularFormula: C30H30FN7O6
MolecularWeight: 603.6009
MdlNumber: MFCD30345532
Smiles: OC(=O)C=CC(=O)O.C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2
Complexity: 871
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 44
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 5
RotatableBondCount: 9
CatalogNumber:
AA77747
ChemicalName:
N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide maleate
CasNumber:
1557268-88-8
MolecularFormula:
C30H30FN7O6
MolecularWeight:
603.6009
MdlNumber:
MFCD30345532
Smiles:
OC(=O)C=CC(=O)O.C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2
Complexity:
871
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
44
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
5
RotatableBondCount:
9
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
DefinedBondStereocenterCount: __
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 7
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
DefinedBondStereocenterCount:
__
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1nn(c2c1CCC(C2)(C)C)COCC[Si](C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1nn(c2c1CCC(C2)(C)C)COCC[Si](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cn2ccnc2c(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cn2ccnc2c(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__