General Information of the Compound
| Compound ID |
CP0557170
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| Compound Name |
4-[8-amino-3-[(3R,6R)-1-(3-methyloxetane-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Formula |
C30H26F7N7O3
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| Molecular Weight |
665.57
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| Canonical SMILES |
CC1(COC1)C(=O)N1C[C@@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C30H26F7N7O3/c1-28(13-47-14-28)27(46)44-12-16(3-5-20(44)30(35,36)37)25-42-22(23-24(38)40-8-9-43(23)25)18-4-2-15(10-19(18)31)26(45)41-21-11-17(6-7-39-21)29(32,33)34/h2,4,6-11,16,20H,3,5,12-14H2,1H3,(H2,38,40)(H,39,41,45)/t16-,20-/m1/s1
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| InChIKey |
ORKDUSMVXQLLKA-OXQOHEQNSA-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