General Information of the Compound
| Compound ID |
CP0397460
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| Compound Name |
CHEMBL2158496
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| Formula |
C58H44F2N6O14S2
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| Molecular Weight |
1151.148
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| Canonical SMILES |
COc1cc(ccc1OC(=O)c1cccs1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2)([C@@H](c2ccc(OC(=O)c3cccs3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C58H44F2N6O14S2/c1-77-43-27-33(17-23-41(43)79-51(69)45-11-5-25-81-45)47-57(53(71)72,65-49(67)31-13-19-37(20-14-31)61-55(75)63-39-9-3-7-35(59)29-39)48(34-18-24-42(44(28-34)78-2)80-52(70)46-12-6-26-82-46)58(47,54(73)74)66-50(68)32-15-21-38(22-16-32)62-56(76)64-40-10-4-8-36(60)30-40/h3-30,47-48H,1-2H3,(H,65,67)(H,66,68)(H,71,72)(H,73,74)(H2,61,63,75)(H2,62,64,76)/t47-,48+,57+,58-
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| InChIKey |
GVJAJEYGWOAMAV-UYLASBEKSA-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