General Information of the Compound
| Compound ID |
CP0450558
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| Compound Name |
US9187424, 171
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| Structure |
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| Formula |
C30H24ClF7N2O3
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| Molecular Weight |
628.972
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2cc(F)ccc2Cl)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H24ClF7N2O3/c1-17-3-5-18(6-4-17)23-16-28(30(36,37)38,19-7-10-21(11-8-19)43-14-2-13-29(33,34)35)40-27(42)25(23)39-26(41)22-15-20(32)9-12-24(22)31/h3-12,15H,2,13-14,16H2,1H3,(H,39,41)(H,40,42)
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| InChIKey |
JAVJJQNDMDLRLM-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