General Information of the Compound
| Compound ID |
CP0579367
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| Compound Name |
3-[2-cyano-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H17N5O2S
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| Molecular Weight |
415.478
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| Canonical SMILES |
Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C#N)-c1ccncc1
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| InChI |
InChI=1S/C22H17N5O2S/c1-14-21(22(27-26-14)15-7-9-25-10-8-15)17-5-6-20(18(11-17)13-23)16-3-2-4-19(12-16)30(24,28)29/h2-12H,1H3,(H,26,27)(H2,24,28,29)
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| InChIKey |
VZXNVMSTYUKSGM-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