General Information of the Compound
| Compound ID |
CP0574774
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| Compound Name |
4-[8-amino-3-[(3R,6S)-1-(2-hydroxy-2-methylpropanoyl)-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 |
C29H29F4N7O3
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| Molecular Weight |
599.589
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| Canonical SMILES |
C[C@H]1CC[C@H](CN1C(=O)C(C)(C)O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C29H29F4N7O3/c1-15-4-5-17(14-40(15)27(42)28(2,3)43)25-38-22(23-24(34)36-10-11-39(23)25)19-7-6-16(12-20(19)30)26(41)37-21-13-18(8-9-35-21)29(31,32)33/h6-13,15,17,43H,4-5,14H2,1-3H3,(H2,34,36)(H,35,37,41)/t15-,17+/m0/s1
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| InChIKey |
MTYKRTSOCQCEPK-DOTOQJQBSA-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