General Information of the Compound
| Compound ID |
CP0527418
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| Compound Name |
US8722896, (+/-)-2-Benzyl-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- benzylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C29H31ClN2O3
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| Molecular Weight |
491.031
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| Canonical SMILES |
Clc1cc(CN(Cc2ccccc2)C(=O)C2CCN(Cc3ccccc3)C2)cc2OCCCOc12
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| InChI |
InChI=1S/C29H31ClN2O3/c30-26-16-24(17-27-28(26)35-15-7-14-34-27)20-32(19-23-10-5-2-6-11-23)29(33)25-12-13-31(21-25)18-22-8-3-1-4-9-22/h1-6,8-11,16-17,25H,7,12-15,18-21H2
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| InChIKey |
FIHNNMHEYBPSRU-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
Protein ID: PT00629, Prokineticin receptor 1
Protein ID: PT00615, Prokineticin receptor 2