General Information of the Compound
| Compound ID |
CP0551064
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| Compound Name |
US8912224, 139
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| Structure |
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| Formula |
C26H28N4O2S
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| Molecular Weight |
460.603
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| Canonical SMILES |
CCn1cc(CNCc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)c(C)n1
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| InChI |
InChI=1S/C26H28N4O2S/c1-3-30-17-21(18(2)29-30)14-27-15-23-16-28-26(33-23)31-22-10-12-25-20(13-22)9-11-24(32-25)19-7-5-4-6-8-19/h4-8,10,12-13,16-17,24,27H,3,9,11,14-15H2,1-2H3
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| InChIKey |
VVNPLWNCNNGWKX-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