General Information of the Compound
| Compound ID |
CP0411914
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| Compound Name |
US8722896, (-)-(3R)-1-(Indol-4-ylmethyl)-N- (9-chloro-2,3,4,5-tetrahydro-1- benzoxepin-7-ylmethyl)-N- isobutylpiperidine-3- carboxamide
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| Structure |
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| Formula |
C30H38ClN3O2
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| Molecular Weight |
508.106
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCCc2c1)C(=O)C1CCCN(Cc2cccc3[nH]ccc23)C1
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| InChI |
InChI=1S/C30H38ClN3O2/c1-21(2)17-34(18-22-15-23-7-3-4-14-36-29(23)27(31)16-22)30(35)25-9-6-13-33(20-25)19-24-8-5-10-28-26(24)11-12-32-28/h5,8,10-12,15-16,21,25,32H,3-4,6-7,9,13-14,17-20H2,1-2H3
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| InChIKey |
RXVLLQQUQSKKRR-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