General Information of the Compound
| Compound ID |
CP0189973
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| Compound Name |
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)pyrrolidin-3-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 |
C28H26F3N7O3
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| Molecular Weight |
565.556
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| Canonical SMILES |
CC1(COC1)C(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C28H26F3N7O3/c1-27(14-41-15-27)26(40)37-10-7-18(13-37)24-36-21(22-23(32)34-9-11-38(22)24)16-2-4-17(5-3-16)25(39)35-20-12-19(6-8-33-20)28(29,30)31/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H2,32,34)(H,33,35,39)/t18-/m1/s1
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| InChIKey |
NSJMTJKYDCNXPE-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