General Information of the Compound
| Compound ID |
CP0416352
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| Compound Name |
N-(3-cyanophenyl)-2-[3-(6-methylpyridin-2-yl)-4-(2-phenylpyridin-4-yl)pyrazol-1-yl]ethanethioamide
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| Structure |
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| Formula |
C29H22N6S
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| Molecular Weight |
486.604
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=S)Nc2cccc(c2)C#N)cc1-c1ccnc(c1)-c1ccccc1
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| InChI |
InChI=1S/C29H22N6S/c1-20-7-5-12-26(32-20)29-25(23-13-14-31-27(16-23)22-9-3-2-4-10-22)18-35(34-29)19-28(36)33-24-11-6-8-21(15-24)17-30/h2-16,18H,19H2,1H3,(H,33,36)
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| InChIKey |
ZUUYWZOXDQJGTE-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