General Information of the Compound
| Compound ID |
CP0372859
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| Compound Name |
8-[bis(2-chlorophenyl)methyl]-3-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C30H33Cl2N3O
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| Molecular Weight |
522.52
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| Canonical SMILES |
CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
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| InChI |
InChI=1S/C30H33Cl2N3O/c1-2-3-19-34-22-35(23-11-5-4-6-12-23)30(29(34)36)17-20-33(21-18-30)28(24-13-7-9-15-26(24)31)25-14-8-10-16-27(25)32/h4-16,28H,2-3,17-22H2,1H3
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| InChIKey |
LDOWXIWCYWICLF-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