General Information of the Compound
| Compound ID |
CP0537642
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| Compound Name |
4-methyl-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C25H18F3N7O
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| Molecular Weight |
489.461
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| Canonical SMILES |
Cc1ccc(cc1Nc1ncccc1-c1ncnc2[nH]cnc12)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H18F3N7O/c1-14-7-8-15(24(36)34-17-5-2-4-16(11-17)25(26,27)28)10-19(14)35-22-18(6-3-9-29-22)20-21-23(32-12-30-20)33-13-31-21/h2-13H,1H3,(H,29,35)(H,34,36)(H,30,31,32,33)
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| InChIKey |
VEAGMIRFBPBOSJ-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