General Information of the Compound
| Compound ID |
CP0372850
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| Compound Name |
8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[2-(pyrrolidin-1-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C32H36Cl2N4O
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| Molecular Weight |
563.573
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| Canonical SMILES |
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
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| InChI |
InChI=1S/C32H36Cl2N4O/c33-28-14-6-4-12-26(28)30(27-13-5-7-15-29(27)34)36-20-16-32(17-21-36)31(39)37(23-22-35-18-8-9-19-35)24-38(32)25-10-2-1-3-11-25/h1-7,10-15,30H,8-9,16-24H2
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| InChIKey |
NJDAIEKCJUPYPX-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