General Information of the Compound
| Compound ID |
CP0464935
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| Compound Name |
US8912224, 142
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| Structure |
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| Formula |
C25H26N4O2S
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| Molecular Weight |
446.576
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| Canonical SMILES |
C(CNCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)Cn1cccn1
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| InChI |
InChI=1S/C25H26N4O2S/c1-2-6-19(7-3-1)23-10-8-20-16-21(9-11-24(20)31-23)30-25-27-18-22(32-25)17-26-12-4-14-29-15-5-13-28-29/h1-3,5-7,9,11,13,15-16,18,23,26H,4,8,10,12,14,17H2
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| InChIKey |
WVUXZSHHJGJKSO-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