API0232762
Duvelisib
Dutasteride is used for benign prostatic hyperplasia (BPH).
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CAS No.
1201438-56-3
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Synonyms
Duvelisib; IPI-145; INK-1197
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CHEMBL ID
CHEMBL3039502
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Molecule Type
Small molecule
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Compound CID
50905713
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Molecular Weight (g/mol)
416.9
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Molecular Formula
C22H17ClN6O
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InChI
InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1
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InChIKey
SJVQHLPISAIATJ-ZDUSSCGKSA-N
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SMILES
C[C@@H](C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
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IUPAC Name
8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one
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Exact Mass (Da)
416.1152369
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Monoisotopic Mass (Da)
416.1152369
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