General Information of the Compound
| Compound ID |
CP0497787
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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- isobutylpiperidine-3- carboxamide
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| Structure |
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| Formula |
C30H41ClN2O2
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| Molecular Weight |
497.123
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCCc2c1)C(=O)C1CCCN(Cc2cccc(C)c2C)C1
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| InChI |
InChI=1S/C30H41ClN2O2/c1-21(2)17-33(18-24-15-25-10-5-6-14-35-29(25)28(31)16-24)30(34)27-12-8-13-32(20-27)19-26-11-7-9-22(3)23(26)4/h7,9,11,15-16,21,27H,5-6,8,10,12-14,17-20H2,1-4H3
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| InChIKey |
LCJGLMWCXJBIGF-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