General Information of the Compound
Compound ID |
CP0548900
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Compound Name |
US8722896, (+/-)-2-Methyl-3-((2-ethyl-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 |
C28H39ClN2O3
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Molecular Weight |
487.084
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Canonical SMILES |
CCc1c(C)cccc1CNCC(C)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1
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InChI |
InChI=1S/C28H39ClN2O3/c1-6-24-20(4)9-7-10-23(24)16-30-15-21(5)28(32)31(17-19(2)3)18-22-13-25(29)27-26(14-22)33-11-8-12-34-27/h7,9-10,13-14,19,21,30H,6,8,11-12,15-18H2,1-5H3
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InChIKey |
VEIGVPBEHCOHLI-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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