General Information of the Compound
| Compound ID |
CP0403753
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| Compound Name |
3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chloro-1H-indole
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| Structure |
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| Formula |
C20H19ClN2
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| Molecular Weight |
322.839
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| Canonical SMILES |
Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C20H19ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-8,12-13,22H,9-11,14H2
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| InChIKey |
ZKMNVMFJQHYVPV-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
Protein ID: PT01360, Nociceptin receptor