General Information of the Compound
| Compound ID |
CP0218798
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| Compound Name |
[3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate
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| Structure |
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| Formula |
C19H18ClF3N4O3S
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| Molecular Weight |
474.892
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12
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| InChI |
InChI=1S/C19H18ClF3N4O3S/c1-26-6-8-27(9-7-26)18-14-11-13(30-31(28,29)19(21,22)23)3-5-15(14)24-16-4-2-12(20)10-17(16)25-18/h2-5,10-11,24H,6-9H2,1H3
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| InChIKey |
MTKHCEFATKQYMK-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