General Information of the Compound
| Compound ID |
CP0557318
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| Compound Name |
US8614213, 22.7
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| Formula |
C19H22ClF3N4O
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| Molecular Weight |
414.859
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| Canonical SMILES |
Cc1cc(nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)cnc1C)C(F)(F)F
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| InChI |
InChI=1S/C19H22ClF3N4O/c1-11-7-17(19(21,22)23)26-27(11)10-13-3-5-15(6-4-13)25-18(28)16-8-14(20)9-24-12(16)2/h7-9,13,15H,3-6,10H2,1-2H3,(H,25,28)/t13-,15-
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| InChIKey |
KNLWVUPAERCOSC-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