General Information of the Compound
| Compound ID |
CP0561424
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| Compound Name |
US9035059, 18-16
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| Structure |
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| Formula |
C36H40FN3O4S
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| Molecular Weight |
629.798
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCCCCc3ccccc3)cc2F)cc1
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| InChI |
InChI=1S/C36H40FN3O4S/c1-36(2,3)29-14-16-30(17-15-29)38-35(41)40-24-27-13-19-32(22-28(27)25-40)45(42,43)39-34-20-18-31(23-33(34)37)44-21-9-5-8-12-26-10-6-4-7-11-26/h4,6-7,10-11,13-20,22-23,39H,5,8-9,12,21,24-25H2,1-3H3,(H,38,41)
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| InChIKey |
WSWOUKNSIKIMMI-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