General Information of the Compound
| Compound ID |
CP0578789
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| Compound Name |
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-2,3-difluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Formula |
C29H26F5N7O3
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| Molecular Weight |
615.563
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| Canonical SMILES |
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2F)c2c(N)nccn12
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| InChI |
InChI=1S/C29H26F5N7O3/c1-28(13-44-14-28)27(43)40-9-2-3-15(12-40)25-39-22(23-24(35)37-8-10-41(23)25)17-4-5-18(21(31)20(17)30)26(42)38-19-11-16(6-7-36-19)29(32,33)34/h4-8,10-11,15H,2-3,9,12-14H2,1H3,(H2,35,37)(H,36,38,42)/t15-/m1/s1
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| InChIKey |
JRFPFHCOXJBYPH-OAHLLOKOSA-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