General Information of the Compound
| Compound ID |
CP0470656
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| Compound Name |
US9035059, 18-15
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| Structure |
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| Formula |
C34H36FN3O4S
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| Molecular Weight |
601.744
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCCc3ccccc3)cc2F)cc1
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| InChI |
InChI=1S/C34H36FN3O4S/c1-34(2,3)27-12-14-28(15-13-27)36-33(39)38-22-25-11-17-30(20-26(25)23-38)43(40,41)37-32-18-16-29(21-31(32)35)42-19-7-10-24-8-5-4-6-9-24/h4-6,8-9,11-18,20-21,37H,7,10,19,22-23H2,1-3H3,(H,36,39)
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| InChIKey |
NBSOFHKZIZVQIB-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