General Information of the Compound
| Compound ID |
CP0417450
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| Compound Name |
methyl 2-{8-[bis(2-chlorophenyl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl}acetate
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| Structure |
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| Formula |
C29H29Cl2N3O3
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| Molecular Weight |
538.475
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| Canonical SMILES |
COC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
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| InChI |
InChI=1S/C29H29Cl2N3O3/c1-37-26(35)19-33-20-34(21-9-3-2-4-10-21)29(28(33)36)15-17-32(18-16-29)27(22-11-5-7-13-24(22)30)23-12-6-8-14-25(23)31/h2-14,27H,15-20H2,1H3
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| InChIKey |
SLHIWQFTFLYARS-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor