General Information of the Compound
| Compound ID |
CP0574006
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| Compound Name |
US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N-isopropyl piperidine-3-carboxamide
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| Structure |
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| Formula |
C26H33ClN2O3
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| Molecular Weight |
457.014
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| Canonical SMILES |
CC(C)N(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C26H33ClN2O3/c1-19(2)29(17-21-14-23(27)25-24(15-21)31-12-7-13-32-25)26(30)22-10-6-11-28(18-22)16-20-8-4-3-5-9-20/h3-5,8-9,14-15,19,22H,6-7,10-13,16-18H2,1-2H3
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| InChIKey |
DLUSFQQTCLHIMU-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