General Information of the Compound
| Compound ID |
CP0928832
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| Compound Name |
(rel)-(8-(bis(2-chlorophenyl)methyl)-3-(6-fluoropyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)-N,N-dimethylmethanamine
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| Formula |
C28H30Cl2FN3
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| Molecular Weight |
498.473
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| Canonical SMILES |
CN(C)C[C@@]1(c2cccc(F)n2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C28H30Cl2FN3/c1-33(2)18-28(25-12-7-13-26(31)32-25)16-19-14-15-20(17-28)34(19)27(21-8-3-5-10-23(21)29)22-9-4-6-11-24(22)30/h3-13,19-20,27H,14-18H2,1-2H3/t19-,20+,28-
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| InChIKey |
DCKZVPWLIXBUCF-JXHXNGGNSA-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