General Information of the Compound
| Compound ID |
CP0573617
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| Compound Name |
N-[3-[3-(3-chloro-4-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C28H23ClN4O3S
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| Molecular Weight |
531.037
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| Canonical SMILES |
COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C28H23ClN4O3S/c1-19-6-9-24(10-7-19)37(34,35)32-22-4-3-5-23(17-22)33-18-25(20-12-14-30-15-13-20)28(31-33)21-8-11-27(36-2)26(29)16-21/h3-18,32H,1-2H3
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| InChIKey |
DUDHMASFTOTPEE-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