General Information of the Compound
| Compound ID |
CP0479565
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| Compound Name |
3-[2-(butylamino)ethyl]-8-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C29H39ClN4O
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| Molecular Weight |
495.111
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| Canonical SMILES |
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3c(Cl)cccc23)C1=O
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| InChI |
InChI=1S/C29H39ClN4O/c1-2-3-17-31-18-21-33-22-34(23-9-5-4-6-10-23)29(28(33)35)15-19-32(20-16-29)27-14-8-11-24-25(27)12-7-13-26(24)30/h4-7,9-10,12-13,27,31H,2-3,8,11,14-22H2,1H3
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| InChIKey |
ZMEBBPWUVGTYBO-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