General Information of the Compound
| Compound ID |
CP0008417
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| Compound Name |
5-[2-amino-3-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-3H-isoindol-1-one
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| Formula |
C25H24F3N7O
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| Molecular Weight |
495.509
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(N)c(-c3cn(C)nc3C)c2n1
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| InChI |
InChI=1S/C25H24F3N7O/c1-12-17(11-33(3)31-12)21-22(29)32-35-7-6-19(30-23(21)35)15-8-16-10-34(13(2)14-4-5-14)24(36)20(16)18(9-15)25(26,27)28/h6-9,11,13-14H,4-5,10H2,1-3H3,(H2,29,32)/t13-/m0/s1
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| InChIKey |
KJKFZLSFFHPRNL-ZDUSSCGKSA-N
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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: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform