General Information of the Compound
| Compound ID |
CP0520325
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| Compound Name |
US8912224, 328
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| Structure |
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| Formula |
C25H24N4O5S
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| Molecular Weight |
492.557
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| Canonical SMILES |
Cc1ccccc1C1CCc2cc(Oc3ncc(CNC(=O)CN4C(=O)CNC4=O)s3)ccc2O1
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| InChI |
InChI=1S/C25H24N4O5S/c1-15-4-2-3-5-19(15)21-8-6-16-10-17(7-9-20(16)34-21)33-25-28-12-18(35-25)11-26-22(30)14-29-23(31)13-27-24(29)32/h2-5,7,9-10,12,21H,6,8,11,13-14H2,1H3,(H,26,30)(H,27,32)
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| InChIKey |
MFPVQTJBHRQNPT-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