General Information of the Compound
| Compound ID |
CP0397799
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-(pyridin-3- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)- N-isobutylpropanamide
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| Structure |
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| Formula |
C24H32ClN3O3
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| Molecular Weight |
445.991
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C(C)CNCc1cccnc1
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| InChI |
InChI=1S/C24H32ClN3O3/c1-17(2)15-28(24(29)18(3)12-27-14-19-6-4-7-26-13-19)16-20-10-21(25)23-22(11-20)30-8-5-9-31-23/h4,6-7,10-11,13,17-18,27H,5,8-9,12,14-16H2,1-3H3
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| InChIKey |
FXLQWOYTGNKOGR-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