General Information of the Compound
| Compound ID |
CP0549762
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| Compound Name |
US9035059, 18-29
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| Structure |
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| Formula |
C32H38FN3O5S
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| Molecular Weight |
595.737
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCOC3CCCC3)cc2F)cc1
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| InChI |
InChI=1S/C32H38FN3O5S/c1-32(2,3)24-9-11-25(12-10-24)34-31(37)36-20-22-8-14-28(18-23(22)21-36)42(38,39)35-30-15-13-27(19-29(30)33)41-17-16-40-26-6-4-5-7-26/h8-15,18-19,26,35H,4-7,16-17,20-21H2,1-3H3,(H,34,37)
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| InChIKey |
HNOWVNJDARBJBP-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