General Information of the Compound
| Compound ID |
CP0475905
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| Compound Name |
4-[3-[(2R)-4-acetylmorpholin-2-yl]-8-aminoimidazo[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 |
C25H21F4N7O3
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| Molecular Weight |
543.481
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| Canonical SMILES |
CC(=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/C25H21F4N7O3/c1-13(37)35-8-9-39-18(12-35)23-34-20(21-22(30)32-6-7-36(21)23)16-3-2-14(10-17(16)26)24(38)33-19-11-15(4-5-31-19)25(27,28)29/h2-7,10-11,18H,8-9,12H2,1H3,(H2,30,32)(H,31,33,38)/t18-/m1/s1
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| InChIKey |
FIBXFSCECSTMGE-GOSISDBHSA-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