General Information of the Compound
| Compound ID |
CP0488679
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| Compound Name |
CHEMBL2158402
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| Formula |
C46H50N6O12
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| Molecular Weight |
878.936
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H](c2ccc(NC(C)=O)cc2)[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/C46H50N6O12/c1-25(53)47-31-17-9-27(10-18-31)35-45(39(57)58,51-37(55)29-13-21-33(22-14-29)49-41(61)63-43(3,4)5)36(28-11-19-32(20-12-28)48-26(2)54)46(35,40(59)60)52-38(56)30-15-23-34(24-16-30)50-42(62)64-44(6,7)8/h9-24,35-36H,1-8H3,(H,47,53)(H,48,54)(H,49,61)(H,50,62)(H,51,55)(H,52,56)(H,57,58)(H,59,60)/t35-,36+,45+,46-
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| InChIKey |
NORQNOCXKPWIFD-CIHGLUCBSA-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