General Information of the Compound
| Compound ID |
CP0526772
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| Compound Name |
3-((6-methoxy-1H-benzo[d]imidazol-2-ylthio)methyl)-1H-indazole
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| Structure |
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| Formula |
C16H14N4OS
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| Molecular Weight |
310.382
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| Canonical SMILES |
COc1ccc2nc(SCc3n[nH]c4ccccc34)[nH]c2c1
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| InChI |
InChI=1S/C16H14N4OS/c1-21-10-6-7-13-14(8-10)18-16(17-13)22-9-15-11-4-2-3-5-12(11)19-20-15/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
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| InChIKey |
JCHABRQKSUKSNP-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