General Information of the Compound
| Compound ID |
CP0579421
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| Compound Name |
3-[4-[5-(2-methylpyridin-4-yl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H18N4O2S
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| Molecular Weight |
390.468
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| Canonical SMILES |
Cc1cc(ccn1)-c1n[nH]cc1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O
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| InChI |
InChI=1S/C21H18N4O2S/c1-14-11-18(9-10-23-14)21-20(13-24-25-21)16-7-5-15(6-8-16)17-3-2-4-19(12-17)28(22,26)27/h2-13H,1H3,(H,24,25)(H2,22,26,27)
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| InChIKey |
LPAWSFKXOLPTPM-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