General Information of the Compound
| Compound ID |
CP0441451
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| Compound Name |
US8722896, (-)-(3R)-1-(4-Fluoro-2- methoxybenzyl)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpiperidine-3- carboxamide
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| Structure |
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| Formula |
C28H36ClFN2O4
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| Molecular Weight |
519.057
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| Canonical SMILES |
COc1cc(F)ccc1CN1CCCC(C1)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1
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| InChI |
InChI=1S/C28H36ClFN2O4/c1-19(2)15-32(16-20-12-24(29)27-26(13-20)35-10-5-11-36-27)28(33)22-6-4-9-31(18-22)17-21-7-8-23(30)14-25(21)34-3/h7-8,12-14,19,22H,4-6,9-11,15-18H2,1-3H3
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| InChIKey |
LCIDHVYSTRBEEO-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