General Information of the Compound
| Compound ID |
CP0196982
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| Compound Name |
[6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl] trifluoromethanesulfonate
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| Synonyms |
BDBM50078062
CHEMBL430798
GMC-2-83
GMC-283
MolPort-042-665-651
Trifluoro-methanesulfonic acid 11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]oxazepin-2-yl ester
ZINC14299682
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| Structure |
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| Formula |
C19H18F3N3O4S
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| Molecular Weight |
441.431
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12
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| InChI |
InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3
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| InChIKey |
DQNCRNVCBHYBQP-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
Clinical Information about the Compound