General Information of the Compound
| Compound ID |
CP0390231
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| Compound Name |
US8912224, 201
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| Structure |
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| Formula |
C27H24N2O4S
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| Molecular Weight |
472.566
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| Canonical SMILES |
OC[C@@H](NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)c1ccccc1
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| InChI |
InChI=1S/C27H24N2O4S/c30-17-22(18-7-3-1-4-8-18)29-26(31)25-16-28-27(34-25)32-21-12-14-24-20(15-21)11-13-23(33-24)19-9-5-2-6-10-19/h1-10,12,14-16,22-23,30H,11,13,17H2,(H,29,31)/t22-,23+/m1/s1
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| InChIKey |
ZMFKZELAUUEOEC-PKTZIBPZSA-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