General Information of the Compound
| Compound ID |
CP0415213
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| Compound Name |
2-(benzylamino)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H23N5OS
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| Molecular Weight |
405.527
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| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CCc2c(C1)sc(NCc1ccccc1)c2C#N
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| InChI |
InChI=1S/C22H23N5OS/c1-14(2)18-10-19(26-25-18)22(28)27-9-8-16-17(11-23)21(29-20(16)13-27)24-12-15-6-4-3-5-7-15/h3-7,10,14,24H,8-9,12-13H2,1-2H3,(H,25,26)
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| InChIKey |
UJUZRMBAWBBJKR-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