General Information of the Compound
| Compound ID |
CP0374004
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| Compound Name |
3'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-5'-(2-cyanopropan-2-yl)biphenyl-4-yl sulfamate
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| Structure |
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| Formula |
C19H18ClN5O3S
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| Molecular Weight |
431.905
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| Canonical SMILES |
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(OS(N)(=O)=O)c(Cl)c1
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| InChI |
InChI=1S/C19H18ClN5O3S/c1-19(2,10-21)16-6-13(9-25-12-23-11-24-25)5-15(7-16)14-3-4-18(17(20)8-14)28-29(22,26)27/h3-8,11-12H,9H2,1-2H3,(H2,22,26,27)
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| InChIKey |
JMRONYPAIQLMMT-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