General Information of the Compound
| Compound ID |
CP0544111
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| Compound Name |
US8912224, 252
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| Structure |
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| Formula |
C24H25N3O4S
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| Molecular Weight |
451.548
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| Canonical SMILES |
OCCC(NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1)C1CC1
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| InChI |
InChI=1S/C24H25N3O4S/c28-11-9-19(15-3-4-15)27-23(29)22-14-26-24(32-22)30-18-6-8-20-16(12-18)5-7-21(31-20)17-2-1-10-25-13-17/h1-2,6,8,10,12-15,19,21,28H,3-5,7,9,11H2,(H,27,29)
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| InChIKey |
SAFAGUBSXQVYKR-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