General Information of the Compound
| Compound ID |
CP0915063
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| Compound Name |
endo-8-(bis(2-chlorophenyl)methyl)-N,N-dimethyl-3-(pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
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| Formula |
C27H29Cl2N3
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| Molecular Weight |
466.456
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| Canonical SMILES |
CN(C)[C@]1(c2ccccn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C27H29Cl2N3/c1-31(2)27(25-13-7-8-16-30-25)17-19-14-15-20(18-27)32(19)26(21-9-3-5-11-23(21)28)22-10-4-6-12-24(22)29/h3-13,16,19-20,26H,14-15,17-18H2,1-2H3/t19-,20+,27-
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| InChIKey |
KNCBSNHJLTZIPK-VXECKQGCSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor