General Information of the Compound
| Compound ID |
CP0851742
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| Compound Name |
4-(5-(3,4-dichlorobenzyl)-4H-1,2,4-triazol-3-yl)-N-(thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C18H13Cl2N5O2S2
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| Molecular Weight |
466.375
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| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc(-c2nnc(Cc3ccc(Cl)c(Cl)c3)[nH]2)cc1
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| InChI |
InChI=1S/C18H13Cl2N5O2S2/c19-14-6-1-11(9-15(14)20)10-16-22-17(24-23-16)12-2-4-13(5-3-12)29(26,27)25-18-21-7-8-28-18/h1-9H,10H2,(H,21,25)(H,22,23,24)
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| InChIKey |
WCWIHBIHBRKJNH-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