General Information of the Compound
| Compound ID |
CP0114107
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| Compound Name |
4-[8-amino-3-[(1R,3S)-3-(methylsulfonylcarbamoyl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C27H26F3N7O4S
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| Molecular Weight |
601.611
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| Canonical SMILES |
CS(=O)(=O)NC(=O)[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C27H26F3N7O4S/c1-42(40,41)36-26(39)18-4-2-3-17(13-18)24-35-21(22-23(31)33-11-12-37(22)24)15-5-7-16(8-6-15)25(38)34-20-14-19(9-10-32-20)27(28,29)30/h5-12,14,17-18H,2-4,13H2,1H3,(H2,31,33)(H,36,39)(H,32,34,38)/t17-,18+/m1/s1
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| InChIKey |
UTFDTGYMNKCNRG-MSOLQXFVSA-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