General Information of the Compound
| Compound ID |
CP0486954
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| Compound Name |
CHEMBL2158395
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| Formula |
C56H56N4O12
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| Molecular Weight |
977.08
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)N[C@@]1([C@H](c2cccc(OCc3ccccc3)c2)[C@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H]1c1cccc(OCc2ccccc2)c1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C56H56N4O12/c1-53(2,3)71-51(67)57-41-27-23-37(24-28-41)47(61)59-55(49(63)64)45(39-19-13-21-43(31-39)69-33-35-15-9-7-10-16-35)56(50(65)66,46(55)40-20-14-22-44(32-40)70-34-36-17-11-8-12-18-36)60-48(62)38-25-29-42(30-26-38)58-52(68)72-54(4,5)6/h7-32,45-46H,33-34H2,1-6H3,(H,57,67)(H,58,68)(H,59,61)(H,60,62)(H,63,64)(H,65,66)/t45-,46+,55+,56-
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| InChIKey |
YOYJTRVXRXKLDQ-SFYCTGIHSA-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