General Information of the Compound
| Compound ID |
CP0550818
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| Compound Name |
US8835444, 1.4
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| Formula |
C23H24ClF3N2O3
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| Molecular Weight |
468.903
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| Canonical SMILES |
OC(=O)Cc1ccc(NC[C@H]2CC[C@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H24ClF3N2O3/c24-20-10-5-16(23(25,26)27)12-19(20)22(32)29-18-8-3-15(4-9-18)13-28-17-6-1-14(2-7-17)11-21(30)31/h1-2,5-7,10,12,15,18,28H,3-4,8-9,11,13H2,(H,29,32)(H,30,31)/t15-,18+
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| InChIKey |
CDUUPHUMLLMQEX-RHNCMZPLSA-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