General Information of the Compound
| Compound ID |
CP0557602
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| Compound Name |
US8912224, 1
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| Structure |
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| Formula |
C25H24N4O3S
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| Molecular Weight |
460.559
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| Canonical SMILES |
CCn1cc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)cn1
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| InChI |
InChI=1S/C25H24N4O3S/c1-2-29-16-17(14-28-29)13-26-24(30)23-15-27-25(33-23)31-20-9-11-22-19(12-20)8-10-21(32-22)18-6-4-3-5-7-18/h3-7,9,11-12,14-16,21H,2,8,10,13H2,1H3,(H,26,30)
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| InChIKey |
SRAPRHYRUBNVJU-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