General Information of the Compound
| Compound ID |
CP0414961
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| Compound Name |
2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C19H17N5OS
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| Molecular Weight |
363.446
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| Canonical SMILES |
O=C(N1CCc2c(C1)sc(NCc1ccccc1)c2C#N)c1ccn[nH]1
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| InChI |
InChI=1S/C19H17N5OS/c20-10-15-14-7-9-24(19(25)16-6-8-22-23-16)12-17(14)26-18(15)21-11-13-4-2-1-3-5-13/h1-6,8,21H,7,9,11-12H2,(H,22,23)
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| InChIKey |
ZFYNAPKTLWTHBC-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