General Information of the Compound
| Compound ID |
CP0397457
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| Compound Name |
CHEMBL2158399
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| Formula |
C58H58F2N4O14
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| Molecular Weight |
1073.112
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| Canonical SMILES |
COc1cc(ccc1OCc1ccc(F)cc1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H](c2ccc(OCc3ccc(F)cc3)c(OC)c2)[C@]1(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C58H58F2N4O14/c1-55(2,3)77-53(71)61-41-23-13-35(14-24-41)49(65)63-57(51(67)68)47(37-17-27-43(45(29-37)73-7)75-31-33-9-19-39(59)20-10-33)58(52(69)70,64-50(66)36-15-25-42(26-16-36)62-54(72)78-56(4,5)6)48(57)38-18-28-44(46(30-38)74-8)76-32-34-11-21-40(60)22-12-34/h9-30,47-48H,31-32H2,1-8H3,(H,61,71)(H,62,72)(H,63,65)(H,64,66)(H,67,68)(H,69,70)/t47-,48+,57+,58-
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| InChIKey |
XDIQZEZDSPULJB-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