General Information of the Compound
| Compound ID |
CP0441943
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| Compound Name |
US8912224, 182
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| Structure |
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| Formula |
C24H24N2O5S
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| Molecular Weight |
452.532
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| Canonical SMILES |
COC(=O)C(C)(C)NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C24H24N2O5S/c1-24(2,22(28)29-3)26-21(27)20-14-25-23(32-20)30-17-10-12-19-16(13-17)9-11-18(31-19)15-7-5-4-6-8-15/h4-8,10,12-14,18H,9,11H2,1-3H3,(H,26,27)/t18-/m0/s1
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| InChIKey |
WODZPCXPZFWZAP-SFHVURJKSA-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