General Information of the Compound
| Compound ID |
CP0537042
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| Compound Name |
US8912224, 206
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| Structure |
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| Formula |
C25H26N2O4S
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| Molecular Weight |
450.56
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| Canonical SMILES |
OCCC(NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)C1CC1
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| InChI |
InChI=1S/C25H26N2O4S/c28-13-12-20(16-6-7-16)27-24(29)23-15-26-25(32-23)30-19-9-11-22-18(14-19)8-10-21(31-22)17-4-2-1-3-5-17/h1-5,9,11,14-16,20-21,28H,6-8,10,12-13H2,(H,27,29)/t20?,21-/m0/s1
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| InChIKey |
CZTIDWZWCCSVHA-LBAQZLPGSA-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