General Information of the Compound
| Compound ID |
CP0052046
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| Compound Name |
1-[4-(benzenesulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
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| Structure |
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| Formula |
C19H17N3O3S
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| Molecular Weight |
367.43
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| Canonical SMILES |
O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H17N3O3S/c23-19(21-14-15-5-4-12-20-13-15)22-16-8-10-18(11-9-16)26(24,25)17-6-2-1-3-7-17/h1-13H,14H2,(H2,21,22,23)
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| InChIKey |
SJMQTTISZPIKBR-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