General Information of the Compound
| Compound ID |
CP0805996
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| Compound Name |
exo-8-[Bis(2-chlorophenyl)methyl]-3-(1-methyl-2-piperidinyl)-8-azabicyclo[3.2.1]octane
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| Formula |
C26H32Cl2N2
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| Molecular Weight |
443.462
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| Canonical SMILES |
CN1CCCCC1[C@H]1C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C26H32Cl2N2/c1-29-15-7-6-12-25(29)18-16-19-13-14-20(17-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-5,8-11,18-20,25-26H,6-7,12-17H2,1H3/t18-,19+,20-,25?
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| InChIKey |
HBCQQSSZNFVMIR-WCDPBWDZSA-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