General Information of the Compound
| Compound ID |
CP0407172
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| Compound Name |
US8722896, (-)-(3R)-1-(2-Ethylbenzyl)-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 |
C29H39ClN2O3
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| Molecular Weight |
499.095
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| Canonical SMILES |
CCc1ccccc1CN1CCC[C@H](C1)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1
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| InChI |
InChI=1S/C29H39ClN2O3/c1-4-23-9-5-6-10-24(23)19-31-12-7-11-25(20-31)29(33)32(17-21(2)3)18-22-15-26(30)28-27(16-22)34-13-8-14-35-28/h5-6,9-10,15-16,21,25H,4,7-8,11-14,17-20H2,1-3H3/t25-/m1/s1
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| InChIKey |
AVOJKUFTNGFCOH-RUZDIDTESA-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