General Information of the Compound
| Compound ID |
CP0429473
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| Compound Name |
methyl (1Z)-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpyrrolidine-1-carboximidothioate
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| Structure |
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| Formula |
C20H19F3N4O2S3
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| Molecular Weight |
500.593
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| Canonical SMILES |
CS\C(=N/S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccs1)C(F)(F)F)N1CCCC1
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| InChI |
InChI=1S/C20H19F3N4O2S3/c1-30-19(26-10-2-3-11-26)25-32(28,29)15-8-6-14(7-9-15)27-16(17-5-4-12-31-17)13-18(24-27)20(21,22)23/h4-9,12-13H,2-3,10-11H2,1H3/b25-19-
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| InChIKey |
XNOVHHIDYPOWLH-PLRJNAJWSA-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