General Information of the Compound
| Compound ID |
CP0531824
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| Compound Name |
US8614213, 19.113
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| Formula |
C21H22Cl2F3N3O2
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| Molecular Weight |
476.326
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| Canonical SMILES |
COc1ncc(Cl)cc1NC[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C21H22Cl2F3N3O2/c1-31-20-18(9-14(22)11-28-20)27-10-12-2-5-15(6-3-12)29-19(30)16-8-13(21(24,25)26)4-7-17(16)23/h4,7-9,11-12,15,27H,2-3,5-6,10H2,1H3,(H,29,30)/t12-,15-
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| InChIKey |
PMUVGFOHVODODR-NNUKFRKNSA-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