General Information of the Compound
| Compound ID |
CP0557169
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| Compound Name |
4-[3-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Formula |
C27H25F4N7O2
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| Molecular Weight |
555.536
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| Canonical SMILES |
C[C@H]1CC[C@H](CN1C(C)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C27H25F4N7O2/c1-14-3-4-17(13-38(14)15(2)39)25-36-22(23-24(32)34-9-10-37(23)25)19-6-5-16(11-20(19)28)26(40)35-21-12-18(7-8-33-21)27(29,30)31/h5-12,14,17H,3-4,13H2,1-2H3,(H2,32,34)(H,33,35,40)/t14-,17+/m0/s1
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| InChIKey |
LYLFTAOXPWVPLR-WMLDXEAASA-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