General Information of the Compound
| Compound ID |
CP0555795
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| Compound Name |
4-(4-cyanophenyl)-N-[6-[(1R)-1-hydroxypropyl]pyridin-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H19N3O3S
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| Molecular Weight |
393.468
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| Canonical SMILES |
CC[C@@H](O)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
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| InChI |
InChI=1S/C21H19N3O3S/c1-2-20(25)19-4-3-5-21(23-19)24-28(26,27)18-12-10-17(11-13-18)16-8-6-15(14-22)7-9-16/h3-13,20,25H,2H2,1H3,(H,23,24)/t20-/m1/s1
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| InChIKey |
YHIWRNUXTCDIEZ-HXUWFJFHSA-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