General Information of the Compound
| Compound ID |
CP0529327
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| Compound Name |
US8912224, 240
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| Structure |
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| Formula |
C30H34N2O6S
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| Molecular Weight |
550.677
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| Canonical SMILES |
O[C@@H](CC(O)=O)[C@H](CC1CCCCC1)NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C30H34N2O6S/c33-24(17-28(34)35)23(15-19-7-3-1-4-8-19)32-29(36)27-18-31-30(39-27)37-22-12-14-26-21(16-22)11-13-25(38-26)20-9-5-2-6-10-20/h2,5-6,9-10,12,14,16,18-19,23-25,33H,1,3-4,7-8,11,13,15,17H2,(H,32,36)(H,34,35)/t23-,24-,25-/m0/s1
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| InChIKey |
JTKOSGBGJHKOKH-SDHOMARFSA-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