General Information of the Compound
| Compound ID |
CP0564512
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| Compound Name |
4-[8-amino-3-(1-ethyl-2-oxopiperidin-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C30H30F3N7O3
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| Molecular Weight |
593.61
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| Canonical SMILES |
CC1(COC1)C(=O)N1CCCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C30H30F3N7O3/c1-29(16-43-17-29)28(42)39-12-3-2-4-20(15-39)26-38-23(24-25(34)36-11-13-40(24)26)18-5-7-19(8-6-18)27(41)37-22-14-21(9-10-35-22)30(31,32)33/h5-11,13-14,20H,2-4,12,15-17H2,1H3,(H2,34,36)(H,35,37,41)/t20-/m1/s1
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| InChIKey |
SPIMYQRTHNJFOY-HXUWFJFHSA-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