General Information of the Compound
| Compound ID |
CP0517302
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| Compound Name |
4-[5-chloro-2-[[2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile
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| Structure |
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| Formula |
C26H19ClF3N5O2
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| Molecular Weight |
525.918
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
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| InChI |
InChI=1S/C26H19ClF3N5O2/c27-18-3-8-22-17(13-18)14-20(33(22)12-2-1-10-31)16-34-24-15-32-11-9-23(24)35(25(34)36)19-4-6-21(7-5-19)37-26(28,29)30/h3-9,11,13-15H,1-2,12,16H2
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| InChIKey |
PQNUZCQCUCLMET-UHFFFAOYSA-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