General Information of the Compound
| Compound ID |
CP0312653
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| Compound Name |
US9340555, 39
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| Structure |
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| Formula |
C31H31F2N5O6S
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| Molecular Weight |
639.681
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@@H](O)CN1CCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1
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| InChI |
InChI=1S/C31H31F2N5O6S/c1-17-4-6-20(32)23(12-17)37-31(42)36-22-7-5-19(14-21(22)33)44-26-8-10-34-24-15-27(45-28(24)26)29(40)35-9-3-11-38-16-18(39)13-25(38)30(41)43-2/h4-8,10,12,14-15,18,25,39H,3,9,11,13,16H2,1-2H3,(H,35,40)(H2,36,37,42)/t18-,25+/m1/s1
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| InChIKey |
NVQDLTVJFMBRNP-CJAUYULYSA-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