General Information of the Compound
| Compound ID |
CP0407672
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-(benzylamino)- N-(9-chloro-3,4-dihydro-2H- 1,5-benzodioxepin-7-ylmethyl)- N-benzylpropanamide
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| Structure |
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| Formula |
C28H31ClN2O3
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| Molecular Weight |
479.02
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| Canonical SMILES |
CC(CNCc1ccccc1)C(=O)N(Cc1ccccc1)Cc1cc(Cl)c2OCCCOc2c1
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| InChI |
InChI=1S/C28H31ClN2O3/c1-21(17-30-18-22-9-4-2-5-10-22)28(32)31(19-23-11-6-3-7-12-23)20-24-15-25(29)27-26(16-24)33-13-8-14-34-27/h2-7,9-12,15-16,21,30H,8,13-14,17-20H2,1H3
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| InChIKey |
AVRDBQDHBGCLST-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