General Information of the Compound
| Compound ID |
CP0858741
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| Compound Name |
endo-8-(bis(2-chlorophenyl)methyl)-3-(pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
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| Formula |
C25H25Cl2N3
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| Molecular Weight |
438.402
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| Canonical SMILES |
N[C@]1(c2ccccn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C25H25Cl2N3/c26-21-9-3-1-7-19(21)24(20-8-2-4-10-22(20)27)30-17-12-13-18(30)16-25(28,15-17)23-11-5-6-14-29-23/h1-11,14,17-18,24H,12-13,15-16,28H2/t17-,18+,25-
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| InChIKey |
XLSZJRCCIPFELW-LWDWJGHZSA-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