General Information of the Compound
| Compound ID |
CP0948128
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| Compound Name |
Trans-2-Chloro-N-[4-(1-methyl-2-oxo-1,2-dihydro-imidazo[4,5-b]pyridin-3-ylmethyl)-cyclohexyl]-5-trifluoromethyl-benzamide
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| Formula |
C22H22ClF3N4O2
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| Molecular Weight |
466.891
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| Canonical SMILES |
Cn1c(=O)n(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c2ncccc21
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| InChI |
InChI=1S/C22H22ClF3N4O2/c1-29-18-3-2-10-27-19(18)30(21(29)32)12-13-4-7-15(8-5-13)28-20(31)16-11-14(22(24,25)26)6-9-17(16)23/h2-3,6,9-11,13,15H,4-5,7-8,12H2,1H3,(H,28,31)/t13-,15-
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| InChIKey |
JKRAYZYPCHIOLK-CTYIDZIISA-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