General Information of the Compound
| Compound ID |
CP0412722
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| Compound Name |
8-(6,7-dichloro-4,4-dimethyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C25H29Cl2N3O
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| Molecular Weight |
458.433
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| Canonical SMILES |
CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2cc(Cl)c(Cl)cc12
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| InChI |
InChI=1S/C25H29Cl2N3O/c1-24(2)9-8-22(18-14-20(26)21(27)15-19(18)24)29-12-10-25(11-13-29)23(31)28-16-30(25)17-6-4-3-5-7-17/h3-7,14-15,22H,8-13,16H2,1-2H3,(H,28,31)
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| InChIKey |
GAXICRLQZFWIKP-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