General Information of the Compound
| Compound ID |
CP0479566
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| Compound Name |
8-[bis(2-chlorophenyl)methyl]-3-[2-(methylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C29H32Cl2N4O
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| Molecular Weight |
523.508
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| Canonical SMILES |
CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
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| InChI |
InChI=1S/C29H32Cl2N4O/c1-32-17-20-34-21-35(22-9-3-2-4-10-22)29(28(34)36)15-18-33(19-16-29)27(23-11-5-7-13-25(23)30)24-12-6-8-14-26(24)31/h2-14,27,32H,15-21H2,1H3
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| InChIKey |
DIUXCEUBKUBNAR-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