General Information of the Compound
| Compound ID |
CP0576034
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| Compound Name |
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(7-methylsulfanyl-2,1,3-benzoxadiazol-4-yl)sulfonyl]urea
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| Structure |
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| Formula |
C20H20N4O4S2
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| Molecular Weight |
444.538
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| Canonical SMILES |
CSc1ccc(c2nonc12)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C20H20N4O4S2/c1-29-15-8-9-16(19-18(15)22-28-23-19)30(26,27)24-20(25)21-17-13-6-2-4-11(13)10-12-5-3-7-14(12)17/h8-10H,2-7H2,1H3,(H2,21,24,25)
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| InChIKey |
QPDNLXVQPDAUDO-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