General Information of the Compound
| Compound ID |
CP0918898
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| Compound Name |
(rel)-(8-(bis(2-chlorophenyl)methyl)-3-(pyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methanamine
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| Formula |
C26H27Cl2N3
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| Molecular Weight |
452.429
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| Canonical SMILES |
NC[C@@]1(c2ccccn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C26H27Cl2N3/c27-22-9-3-1-7-20(22)25(21-8-2-4-10-23(21)28)31-18-12-13-19(31)16-26(15-18,17-29)24-11-5-6-14-30-24/h1-11,14,18-19,25H,12-13,15-17,29H2/t18-,19+,26-
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| InChIKey |
UFRQYIYMPKDNCE-XTIHSXFESA-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