General Information of the Compound
| Compound ID |
CP0859623
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| Compound Name |
(rel)-(3-benzyl-8-(bis(2-chlorophenyl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)methanamine
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| Formula |
C28H30Cl2N2
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| Molecular Weight |
465.468
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| Canonical SMILES |
NC[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C28H30Cl2N2/c29-25-12-6-4-10-23(25)27(24-11-5-7-13-26(24)30)32-21-14-15-22(32)18-28(17-21,19-31)16-20-8-2-1-3-9-20/h1-13,21-22,27H,14-19,31H2/t21-,22+,28+
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| InChIKey |
QRAJWIFPCXGNCX-BWSICMMHSA-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