General Information of the Compound
| Compound ID |
CP0545471
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| Compound Name |
2,3-dimethyl-4-[4-[5-methyl-3-(2-morpholin-4-ylpyridin-4-yl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H29N5O3S
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| Molecular Weight |
503.628
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| Canonical SMILES |
Cc1[nH]nc(c1-c1ccc(cc1)-c1ccc(c(C)c1C)S(N)(=O)=O)-c1ccnc(c1)N1CCOCC1
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| InChI |
InChI=1S/C27H29N5O3S/c1-17-18(2)24(36(28,33)34)9-8-23(17)20-4-6-21(7-5-20)26-19(3)30-31-27(26)22-10-11-29-25(16-22)32-12-14-35-15-13-32/h4-11,16H,12-15H2,1-3H3,(H,30,31)(H2,28,33,34)
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| InChIKey |
JZVCVAXFWVCKGO-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