General Information of the Compound
| Compound ID |
CP0072648
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| Compound Name |
4-{8-amino-3-[(2R)-4-oxetan-3-ylmorpholin-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 |
C26H23F4N7O4
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| Molecular Weight |
573.507
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| Canonical SMILES |
COCC(=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/C26H23F4N7O4/c1-40-13-20(38)36-8-9-41-18(12-36)24-35-21(22-23(31)33-6-7-37(22)24)16-3-2-14(10-17(16)27)25(39)34-19-11-15(4-5-32-19)26(28,29)30/h2-7,10-11,18H,8-9,12-13H2,1H3,(H2,31,33)(H,32,34,39)/t18-/m1/s1
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| InChIKey |
LAUHLGUSVSJYCI-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