General Information of the Compound
| Compound ID |
CP0442251
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| Compound Name |
US8614213, 2.5
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| Formula |
C19H21ClF3N3OS
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| Molecular Weight |
431.911
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| Canonical SMILES |
Cc1cnc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)s1
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| InChI |
InChI=1S/C19H21ClF3N3OS/c1-11-9-24-18(28-11)25-10-12-2-5-14(6-3-12)26-17(27)15-8-13(19(21,22)23)4-7-16(15)20/h4,7-9,12,14H,2-3,5-6,10H2,1H3,(H,24,25)(H,26,27)/t12-,14-
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| InChIKey |
LRQOAOQISQHLMX-MQMHXKEQSA-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