General Information of the Compound
| Compound ID |
CP0491349
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| Compound Name |
8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propan-2-ylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C25H32Cl2N4O
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| Molecular Weight |
475.464
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| Canonical SMILES |
CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
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| InChI |
InChI=1S/C25H32Cl2N4O/c1-19(2)28-13-16-30-18-31(20-7-4-3-5-8-20)25(24(30)32)11-14-29(15-12-25)17-21-22(26)9-6-10-23(21)27/h3-10,19,28H,11-18H2,1-2H3
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| InChIKey |
YNNJYRPLVQZFTC-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