General Information of the Compound
| Compound ID |
CP0790865
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| Compound Name |
Exo-8-[bis(2-chlorophenyl)methyl]-3-(2-pyrimidinyl)-8-azabicyclo[3.2.1]octane
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| Formula |
C24H23Cl2N3
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| Molecular Weight |
424.375
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| Canonical SMILES |
Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1C[C@@H](c1ncccn1)C2
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| InChI |
InChI=1S/C24H23Cl2N3/c25-21-8-3-1-6-19(21)23(20-7-2-4-9-22(20)26)29-17-10-11-18(29)15-16(14-17)24-27-12-5-13-28-24/h1-9,12-13,16-18,23H,10-11,14-15H2/t16-,17+,18-
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| InChIKey |
GTTLNEWKHRVGCY-BCDXTJNWSA-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