General Information of the Compound
| Compound ID |
CP0459954
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-((3- methyl)benzylamino)-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C26H35ClN2O3
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| Molecular Weight |
459.03
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C(C)CNCc1cccc(C)c1
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| InChI |
InChI=1S/C26H35ClN2O3/c1-18(2)16-29(17-22-12-23(27)25-24(13-22)31-9-6-10-32-25)26(30)20(4)14-28-15-21-8-5-7-19(3)11-21/h5,7-8,11-13,18,20,28H,6,9-10,14-17H2,1-4H3
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| InChIKey |
BEFMJSCKJFQGBM-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