General Information of the Compound
| Compound ID |
CP0414002
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| Compound Name |
US8722896, (-)-(3R)-1-(2,3-Dimethylbenzyl)- N-(9-chloro-2,3,4,5-tetrahydro- 1-benzoxepin-7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C29H39ClN2O2
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| Molecular Weight |
483.096
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCCc2c1)C(=O)C1CCN(Cc2cccc(C)c2C)C1
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| InChI |
InChI=1S/C29H39ClN2O2/c1-20(2)16-32(17-23-14-24-9-5-6-13-34-28(24)27(30)15-23)29(33)26-11-12-31(19-26)18-25-10-7-8-21(3)22(25)4/h7-8,10,14-15,20,26H,5-6,9,11-13,16-19H2,1-4H3
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| InChIKey |
PXBAHNPDISPYMO-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