General Information of the Compound
| Compound ID |
CP0416717
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| Compound Name |
2-(4-acetylpiperazin-1-yl)-6-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C23H27F3N6O2
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| Molecular Weight |
476.503
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| Canonical SMILES |
CC(C)N1Cc2c(nc(nc2NCc2ccc(cc2)C(F)(F)F)N2CCN(CC2)C(C)=O)C1=O
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| InChI |
InChI=1S/C23H27F3N6O2/c1-14(2)32-13-18-19(21(32)34)28-22(31-10-8-30(9-11-31)15(3)33)29-20(18)27-12-16-4-6-17(7-5-16)23(24,25)26/h4-7,14H,8-13H2,1-3H3,(H,27,28,29)
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| InChIKey |
APWGKCNSBHECJN-UHFFFAOYSA-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