General Information of the Compound
| Compound ID |
CP0431363
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| Compound Name |
8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclopropylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C31H34Cl2N4O
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| Molecular Weight |
549.546
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| Canonical SMILES |
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CC1)C2=O)c1ccccc1)c1ccccc1Cl
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| InChI |
InChI=1S/C31H34Cl2N4O/c32-27-12-6-4-10-25(27)29(26-11-5-7-13-28(26)33)35-19-16-31(17-20-35)30(38)36(21-18-34-23-14-15-23)22-37(31)24-8-2-1-3-9-24/h1-13,23,29,34H,14-22H2
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| InChIKey |
PHEIVMXYEVVNHK-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