General Information of the Compound
| Compound ID |
CP0397458
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| Compound Name |
CHEMBL2158394
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| Formula |
C48H56N4O12
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| Molecular Weight |
880.992
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| Canonical SMILES |
CCCOc1ccc(cc1)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H](c2ccc(OCCC)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/C48H56N4O12/c1-9-27-61-35-23-15-29(16-24-35)37-47(41(55)56,51-39(53)31-11-19-33(20-12-31)49-43(59)63-45(3,4)5)38(30-17-25-36(26-18-30)62-28-10-2)48(37,42(57)58)52-40(54)32-13-21-34(22-14-32)50-44(60)64-46(6,7)8/h11-26,37-38H,9-10,27-28H2,1-8H3,(H,49,59)(H,50,60)(H,51,53)(H,52,54)(H,55,56)(H,57,58)/t37-,38+,47+,48-
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| InChIKey |
JVUHGAZCPZCAAA-WSURUOAESA-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