General Information of the Compound
| Compound ID |
CP0906999
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| Compound Name |
6-[4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-1,2-benzoxazol-3-one
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
Cc1cc(C)cc(C2CCCN2Cc2ccc(Oc3ccc4c(=O)[nH]oc4c3)cc2)c1
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| InChI |
InChI=1S/C26H26N2O3/c1-17-12-18(2)14-20(13-17)24-4-3-11-28(24)16-19-5-7-21(8-6-19)30-22-9-10-23-25(15-22)31-27-26(23)29/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H,27,29)
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| InChIKey |
BRAMTCAKURNZGZ-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor