General Information of the Compound
| Compound ID |
CP0441567
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| Compound Name |
US8912224, 120
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| Structure |
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| Formula |
C23H24N2O2S
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| Molecular Weight |
392.524
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| Canonical SMILES |
C(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)C1CC1
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| InChI |
InChI=1S/C23H24N2O2S/c1-2-4-17(5-3-1)21-10-8-18-12-19(9-11-22(18)27-21)26-23-25-15-20(28-23)14-24-13-16-6-7-16/h1-5,9,11-12,15-16,21,24H,6-8,10,13-14H2
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| InChIKey |
XWGNRVQSDYCMRI-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