General Information of the Compound
| Compound ID |
CP0549161
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| Compound Name |
US8912224, 155
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| Structure |
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| Formula |
C25H24N4O2S
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| Molecular Weight |
444.56
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| Canonical SMILES |
Nc1cc(CNCc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)ccn1
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| InChI |
InChI=1S/C25H24N4O2S/c26-24-12-17(10-11-28-24)14-27-15-21-16-29-25(32-21)30-20-7-9-23-19(13-20)6-8-22(31-23)18-4-2-1-3-5-18/h1-5,7,9-13,16,22,27H,6,8,14-15H2,(H2,26,28)
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| InChIKey |
WPPUPPALBIUCLM-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