General Information of the Compound
| Compound ID |
CP0449437
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| Compound Name |
5-chloro-3-(1-(cyclooctylmethyl)piperidin-4-yl)-2-methyl-1H-indole
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| Structure |
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| Formula |
C23H33ClN2
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| Molecular Weight |
372.984
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| Canonical SMILES |
Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1
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| InChI |
InChI=1S/C23H33ClN2/c1-17-23(21-15-20(24)9-10-22(21)25-17)19-11-13-26(14-12-19)16-18-7-5-3-2-4-6-8-18/h9-10,15,18-19,25H,2-8,11-14,16H2,1H3
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| InChIKey |
SQLQPFWDGFNBPE-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