General Information of the Compound
| Compound ID |
CP0285449
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| Compound Name |
2-(3-chloro-2-methylphenyl)sulfonyl-7-(3-chlorophenyl)-3,4,5,6-tetrahydrodiazepine
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| Structure |
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| Formula |
C18H18Cl2N2O2S
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| Molecular Weight |
397.327
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| Canonical SMILES |
Cc1c(Cl)cccc1S(=O)(=O)N1CCCCC(=N1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H18Cl2N2O2S/c1-13-16(20)8-5-10-18(13)25(23,24)22-11-3-2-9-17(21-22)14-6-4-7-15(19)12-14/h4-8,10,12H,2-3,9,11H2,1H3
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| InChIKey |
KPEJRQRXMVAEHT-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