General Information of the Compound
| Compound ID |
CP0407112
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| Compound Name |
US8722896, (-)-(3R)-1-(Indol-7-ylmethyl)-N- (9-chloro-2,3,4,5-tetrahydro-1- benzoxepin-7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C29H36ClN3O2
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| Molecular Weight |
494.079
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCCc2c1)C(=O)C1CCN(Cc2cccc3cc[nH]c23)C1
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| InChI |
InChI=1S/C29H36ClN3O2/c1-20(2)16-33(17-21-14-23-6-3-4-13-35-28(23)26(30)15-21)29(34)25-10-12-32(19-25)18-24-8-5-7-22-9-11-31-27(22)24/h5,7-9,11,14-15,20,25,31H,3-4,6,10,12-13,16-19H2,1-2H3
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| InChIKey |
IXYSADTXGFLXAG-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