General Information of the Compound
| Compound ID |
CP0132764
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| Compound Name |
US9340555, 17
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| Structure |
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| Formula |
C31H32FN5O6S
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| Molecular Weight |
621.691
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@@H](O)CN1CCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1
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| InChI |
InChI=1S/C31H32FN5O6S/c1-18-4-9-22(32)23(14-18)36-31(41)35-19-5-7-21(8-6-19)43-26-10-12-33-24-16-27(44-28(24)26)29(39)34-11-3-13-37-17-20(38)15-25(37)30(40)42-2/h4-10,12,14,16,20,25,38H,3,11,13,15,17H2,1-2H3,(H,34,39)(H2,35,36,41)/t20-,25+/m1/s1
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| InChIKey |
JIVWUFIEWHRAPG-NLFFAJNJSA-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