General Information of the Compound
| Compound ID |
CP0420461
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| Compound Name |
US8722896, (-)-(3R)-1-(Indan-4-ylmethyl)- N-(9-chloro-3,4-dihydro-2H- 1,5-benzodioxepin-7-ylmethyl)- N-isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C29H37ClN2O3
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| Molecular Weight |
497.079
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2cccc3CCCc23)C1
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| InChI |
InChI=1S/C29H37ClN2O3/c1-20(2)16-32(17-21-14-26(30)28-27(15-21)34-12-5-13-35-28)29(33)24-10-11-31(19-24)18-23-8-3-6-22-7-4-9-25(22)23/h3,6,8,14-15,20,24H,4-5,7,9-13,16-19H2,1-2H3
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| InChIKey |
JXHVTUFARBUELO-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