General Information of the Compound
| Compound ID |
CP0084521
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| Compound Name |
2-(5-bromothiophen-2-yl)sulfonyl-7-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrodiazepine
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| Structure |
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| Formula |
C15H13BrCl2N2O2S2
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| Molecular Weight |
468.225
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1=NN(CCCC1)S(=O)(=O)c1ccc(Br)s1
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| InChI |
InChI=1S/C15H13BrCl2N2O2S2/c16-14-6-7-15(23-14)24(21,22)20-8-2-1-3-13(19-20)10-4-5-11(17)12(18)9-10/h4-7,9H,1-3,8H2
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| InChIKey |
FJMVWRRNCQYTAT-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