General Information of the Compound
| Compound ID |
CP0906855
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| Compound Name |
(rel)-8-(bis(2-chlorophenyl)methyl)-5'-methyl-8-azaspiro[bicyclo[3.2.1]octane-3,3'-indoline]
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| Formula |
C28H28Cl2N2
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| Molecular Weight |
463.452
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| Canonical SMILES |
Cc1ccc2c(c1)[C@]1(CN2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C28H28Cl2N2/c1-18-10-13-26-23(14-18)28(17-31-26)15-19-11-12-20(16-28)32(19)27(21-6-2-4-8-24(21)29)22-7-3-5-9-25(22)30/h2-10,13-14,19-20,27,31H,11-12,15-17H2,1H3/t19-,20+,28-
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| InChIKey |
SKNMRDLSLFEXCX-JXHXNGGNSA-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