General Information of the Compound
| Compound ID |
CP0429630
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-((2- isopropyl)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 |
C28H39ClN2O3
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| Molecular Weight |
487.084
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C(C)CNCc1ccccc1C(C)C
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| InChI |
InChI=1S/C28H39ClN2O3/c1-19(2)17-31(18-22-13-25(29)27-26(14-22)33-11-8-12-34-27)28(32)21(5)15-30-16-23-9-6-7-10-24(23)20(3)4/h6-7,9-10,13-14,19-21,30H,8,11-12,15-18H2,1-5H3
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| InChIKey |
YFSFPEYQLUTNOT-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