General Information of the Compound
| Compound ID |
CP0005428
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| Compound Name |
Duvelisib
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| Synonyms |
1201438-56-3
610V23S0JI
AK145604
Copiktra
Copiktra (TN)
Duvel
Duvelisib
Duvelisib (IPI-145, INK1197)
Duvelisib [USAN:INN]
INK-1147
INK-1197
INK1197
IPI 145
IPI-145
IPI-145 (INK1197)
IPI145
UNII-610V23S0JI
UNII-610V23S0JI;
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| Structure |
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| Formula |
C22H17ClN6O
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| Molecular Weight |
416.872
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| Canonical SMILES |
C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
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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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| CAS |
1201438-56-3
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Clinical Information about the Compound
Drug 1 ( IPI-145 )
| Drug Name | IPI-145 | ||
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| Company | Verastem | ||
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