General Information of the Compound
| Compound ID |
CP0506372
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| Compound Name |
3-[2-(butylamino)ethyl]-8-(6,7-dichloro-4,4-dimethyl-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 |
C31H42Cl2N4O
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| Molecular Weight |
557.61
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| Canonical SMILES |
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)c(Cl)cc23)C1=O
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| InChI |
InChI=1S/C31H42Cl2N4O/c1-4-5-15-34-16-19-36-22-37(23-9-7-6-8-10-23)31(29(36)38)13-17-35(18-14-31)28-11-12-30(2,3)25-21-27(33)26(32)20-24(25)28/h6-10,20-21,28,34H,4-5,11-19,22H2,1-3H3
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| InChIKey |
MEFGLNPAZYTMOF-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