General Information of the Compound
| Compound ID |
CP0922782
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| Compound Name |
US8614213, 19.117
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| Formula |
C21H26ClF3N4O
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| Molecular Weight |
442.913
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| Canonical SMILES |
CCc1[nH]nc(NC[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1C
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| InChI |
InChI=1S/C21H26ClF3N4O/c1-3-18-12(2)19(29-28-18)26-11-13-4-7-15(8-5-13)27-20(30)16-10-14(21(23,24)25)6-9-17(16)22/h6,9-10,13,15H,3-5,7-8,11H2,1-2H3,(H,27,30)(H2,26,28,29)/t13-,15-
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| InChIKey |
MEFJAWGYOSCWLG-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