General Information of the Compound
| Compound ID |
CP0906679
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| Compound Name |
(rel)-(1S,5S)-8-(bis(2-chlorophenyl)methyl)-8-azaspiro[bicyclo[3.2.1]octane-3,3'-indoline]
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| Formula |
C27H26Cl2N2
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| Molecular Weight |
449.425
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| Canonical SMILES |
Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1C[C@@]1(CNc3ccccc31)C2
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| InChI |
InChI=1S/C27H26Cl2N2/c28-23-10-4-1-7-20(23)26(21-8-2-5-11-24(21)29)31-18-13-14-19(31)16-27(15-18)17-30-25-12-6-3-9-22(25)27/h1-12,18-19,26,30H,13-17H2/t18-,19+,27-
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| InChIKey |
YERPMCNHCLFPQB-MZNYFNKISA-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