General Information of the Compound
| Compound ID |
CP0544101
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| Compound Name |
US8912224, 173
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| Structure |
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| Formula |
C26H25N3O5S
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| Molecular Weight |
491.569
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| Canonical SMILES |
Cc1noc(C)c1CCNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccc(O)c2)s1
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| InChI |
InChI=1S/C26H25N3O5S/c1-15-21(16(2)34-29-15)10-11-27-25(31)24-14-28-26(35-24)32-20-7-9-23-18(13-20)6-8-22(33-23)17-4-3-5-19(30)12-17/h3-5,7,9,12-14,22,30H,6,8,10-11H2,1-2H3,(H,27,31)
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| InChIKey |
GQEUKAGANFUMHK-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