General Information of the Compound
| Compound ID |
CP0108285
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| Compound Name |
4-[8-amino-3-[(2R)-4-(2-methylpropanoyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C27H25F4N7O3
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| Molecular Weight |
571.535
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| Canonical SMILES |
CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C27H25F4N7O3/c1-14(2)26(40)37-9-10-41-19(13-37)24-36-21(22-23(32)34-7-8-38(22)24)17-4-3-15(11-18(17)28)25(39)35-20-12-16(5-6-33-20)27(29,30)31/h3-8,11-12,14,19H,9-10,13H2,1-2H3,(H2,32,34)(H,33,35,39)/t19-/m1/s1
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| InChIKey |
WDTHDWKPTWWHLS-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