General Information of the Compound
| Compound ID |
CP0573002
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| Compound Name |
1-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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| Structure |
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| Formula |
C19H17ClN4O4S
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| Molecular Weight |
432.889
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| Canonical SMILES |
Clc1ccc(c2nonc12)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C19H17ClN4O4S/c20-14-7-8-15(18-17(14)22-28-23-18)29(26,27)24-19(25)21-16-12-5-1-3-10(12)9-11-4-2-6-13(11)16/h7-9H,1-6H2,(H2,21,24,25)
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| InChIKey |
ZXTSHHWTIGVSCR-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