General Information of the Compound
| Compound ID |
CP0547963
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| Compound Name |
US8722896, (+/-)-2-Methyl-3- (benzylmethylamino)-N-(9- chloro-2,3,4,5-tetrahydro-1- benzoxepin-7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C26H35ClN2O2
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| Molecular Weight |
443.031
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCCc2c1)C(=O)C(C)CNCc1ccccc1
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| InChI |
InChI=1S/C26H35ClN2O2/c1-19(2)17-29(26(30)20(3)15-28-16-21-9-5-4-6-10-21)18-22-13-23-11-7-8-12-31-25(23)24(27)14-22/h4-6,9-10,13-14,19-20,28H,7-8,11-12,15-18H2,1-3H3
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| InChIKey |
MIYAVPIGCVNGIM-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