General Information of the Compound
| Compound ID |
CP0499196
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| Compound Name |
3-(3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)-N-phenylpropanethioamide
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| Structure |
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| Formula |
C27H23N5S
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| Molecular Weight |
449.583
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CCC(=S)Nc2ccccc2)cc1-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C27H23N5S/c1-19-7-5-11-25(29-19)27-23(20-12-13-24-21(17-20)8-6-15-28-24)18-32(31-27)16-14-26(33)30-22-9-3-2-4-10-22/h2-13,15,17-18H,14,16H2,1H3,(H,30,33)
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| InChIKey |
PUXRSIDDRZBBRE-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