General Information of the Compound
| Compound ID |
CP0207272
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| Compound Name |
[6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-8-yl] methanesulfonate
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| Structure |
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| Formula |
C19H22N4O3S
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| Molecular Weight |
386.477
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(C)(=O)=O)cc12
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| InChI |
InChI=1S/C19H22N4O3S/c1-22-9-11-23(12-10-22)19-15-13-14(26-27(2,24)25)7-8-16(15)20-17-5-3-4-6-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3
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| InChIKey |
OUTHAVMRGGWPSK-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