
API0232845
Brigatinib
Brigatinib is an anticancer drug (ALK inhibitor).
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CAS No.
1197953-54-0
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Synonyms
Brigatinib; 1197953-54-0; ALUNBRIG
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CHEMBL ID
CHEMBL3545311
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Indications
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Molecule Type
Small molecule
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Compound CID
68165256
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Molecular Weight (g/mol)
584.1
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Molecular Formula
C29H39ClN7O2P
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InChI
InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
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InChIKey
AILRADAXUVEEIR-UHFFFAOYSA-N
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SMILES
CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC
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IUPAC Name
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
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Exact Mass (Da)
583.2591382
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Monoisotopic Mass (Da)
583.2591382
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