General Information of the Compound
| Compound ID |
CP0530108
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| Compound Name |
10-[(5-bromo-1-methylsulfonylindol-2-yl)methyl]-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine
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| Structure |
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| Formula |
C27H28BrN5O2S2
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| Molecular Weight |
598.592
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2ccccc2N(Cc2cc3cc(Br)ccc3n2S(C)(=O)=O)c2sc(C)cc12
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| InChI |
InChI=1S/C27H28BrN5O2S2/c1-18-14-22-26(31-12-10-30(2)11-13-31)29-23-6-4-5-7-25(23)32(27(22)36-18)17-21-16-19-15-20(28)8-9-24(19)33(21)37(3,34)35/h4-9,14-16H,10-13,17H2,1-3H3
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| InChIKey |
LBFWVTAVUDAKCO-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