General Information of the Compound
| Compound ID |
CP0527556
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| Compound Name |
US8912224, 112
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| Structure |
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| Formula |
C24H28N2O2S
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| Molecular Weight |
408.567
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| Canonical SMILES |
CCC(C)(C)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C24H28N2O2S/c1-4-24(2,3)26-16-20-15-25-23(29-20)27-19-11-13-22-18(14-19)10-12-21(28-22)17-8-6-5-7-9-17/h5-9,11,13-15,21,26H,4,10,12,16H2,1-3H3
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| InChIKey |
AGIRGXWEIKUSMN-UHFFFAOYSA-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