General Information of the Compound
| Compound ID |
CP0397449
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| Compound Name |
CHEMBL2158408
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| Formula |
C52H60N4O16
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| Molecular Weight |
997.064
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| Canonical SMILES |
CCCC(=O)Oc1ccc(cc1OC)[C@H]1[C@@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H](c2ccc(OC(=O)CCC)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/C52H60N4O16/c1-11-13-39(57)69-35-25-19-31(27-37(35)67-9)41-51(45(61)62,55-43(59)29-15-21-33(22-16-29)53-47(65)71-49(3,4)5)42(32-20-26-36(38(28-32)68-10)70-40(58)14-12-2)52(41,46(63)64)56-44(60)30-17-23-34(24-18-30)54-48(66)72-50(6,7)8/h15-28,41-42H,11-14H2,1-10H3,(H,53,65)(H,54,66)(H,55,59)(H,56,60)(H,61,62)(H,63,64)/t41-,42+,51+,52-
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| InChIKey |
LKVGZPHMARBMPN-OKSULDPSSA-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