General Information of the Compound
| Compound ID |
CP0549568
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| Compound Name |
4-[8-amino-3-[(3R,6S)-1-[(2R)-2-hydroxypropanoyl]-6-methylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Formula |
C28H27F4N7O3
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| Molecular Weight |
585.562
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| Canonical SMILES |
C[C@@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C28H27F4N7O3/c1-14-3-4-17(13-39(14)27(42)15(2)40)25-37-22(23-24(33)35-9-10-38(23)25)19-6-5-16(11-20(19)29)26(41)36-21-12-18(7-8-34-21)28(30,31)32/h5-12,14-15,17,40H,3-4,13H2,1-2H3,(H2,33,35)(H,34,36,41)/t14-,15+,17+/m0/s1
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| InChIKey |
XFWSWDNJVYYRPV-ZMSDIMECSA-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