General Information of the Compound
| Compound ID |
CP0227868
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| Compound Name |
4-(8-amino-3-{(2R)-4-[(1-methylcyclopropyl)carbonyl] piperazin-2-yl}imidazo[1,5-a]pyrazin-1-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C27H27F3N8O3
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| Molecular Weight |
568.56
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| Canonical SMILES |
COCCC(=O)N1CCN[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C27H27F3N8O3/c1-41-13-7-21(39)37-11-9-32-19(15-37)25-36-22(23-24(31)34-10-12-38(23)25)16-2-4-17(5-3-16)26(40)35-20-14-18(6-8-33-20)27(28,29)30/h2-6,8,10,12,14,19,32H,7,9,11,13,15H2,1H3,(H2,31,34)(H,33,35,40)/t19-/m1/s1
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| InChIKey |
ZJGKSBNPQXOWJL-LJQANCHMSA-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