General Information of the Compound
| Compound ID |
CP0569096
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| Compound Name |
US9187424, 214
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| Structure |
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| Formula |
C30H29F3N2O4
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| Molecular Weight |
538.566
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| Canonical SMILES |
COc1ccc(cc1)C(=O)NC1=C(CC(NC1=O)c1ccc(OCCCC(F)(F)F)cc1)c1ccc(C)cc1
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| InChI |
InChI=1S/C30H29F3N2O4/c1-19-4-6-20(7-5-19)25-18-26(21-8-14-24(15-9-21)39-17-3-16-30(31,32)33)34-29(37)27(25)35-28(36)22-10-12-23(38-2)13-11-22/h4-15,26H,3,16-18H2,1-2H3,(H,34,37)(H,35,36)
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| InChIKey |
LKSMBMRQYCMXFO-UHFFFAOYSA-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