General Information of the Compound
| Compound ID |
CP0499290
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| Compound Name |
N-[3-cyano-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide
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| Structure |
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| Formula |
C23H23N5O3S
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| Molecular Weight |
449.536
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1sc2CN(CCc2c1C#N)C(=O)c1cc(n[nH]1)C(C)C
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| InChI |
InChI=1S/C23H23N5O3S/c1-13(2)18-10-19(27-26-18)23(30)28-9-8-16-17(11-24)22(32-20(16)12-28)25-21(29)14-4-6-15(31-3)7-5-14/h4-7,10,13H,8-9,12H2,1-3H3,(H,25,29)(H,26,27)
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| InChIKey |
KTUODIAJCGIYJT-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