General Information of the Compound
| Compound ID |
CP0453010
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| Compound Name |
7-(3-bromophenyl)-2-(5-bromothiophen-2-yl)sulfonyl-3,4,5,6-tetrahydrodiazepine
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| Structure |
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| Formula |
C15H14Br2N2O2S2
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| Molecular Weight |
478.231
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| Canonical SMILES |
Brc1ccc(s1)S(=O)(=O)N1CCCCC(=N1)c1cccc(Br)c1
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| InChI |
InChI=1S/C15H14Br2N2O2S2/c16-12-5-3-4-11(10-12)13-6-1-2-9-19(18-13)23(20,21)15-8-7-14(17)22-15/h3-5,7-8,10H,1-2,6,9H2
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| InChIKey |
VRWHVENNQXXKMP-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