General Information of the Compound
| Compound ID |
CP0545474
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| Compound Name |
3-[2-cyclopropyl-4-[5-methyl-3-(2-methylpyridin-4-yl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H24N4O2S
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| Molecular Weight |
444.56
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| Canonical SMILES |
Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C1CC1)-c1ccnc(C)c1
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| InChI |
InChI=1S/C25H24N4O2S/c1-15-12-20(10-11-27-15)25-24(16(2)28-29-25)19-8-9-22(23(14-19)17-6-7-17)18-4-3-5-21(13-18)32(26,30)31/h3-5,8-14,17H,6-7H2,1-2H3,(H,28,29)(H2,26,30,31)
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| InChIKey |
LWAOLQIWVBZQLW-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