General Information of the Compound
| Compound ID |
CP0376401
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| Compound Name |
2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-phenyl-6-(phenylsulfonyl)-8-aza-bicyclo[3.2.1]octane
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| Structure |
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| Formula |
C29H27F6NO3S
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| Molecular Weight |
583.594
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| Canonical SMILES |
C[C@@H](OC1CCC2NC1(CC2S(=O)(=O)c1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H27F6NO3S/c1-18(19-14-21(28(30,31)32)16-22(15-19)29(33,34)35)39-26-13-12-24-25(40(37,38)23-10-6-3-7-11-23)17-27(26,36-24)20-8-4-2-5-9-20/h2-11,14-16,18,24-26,36H,12-13,17H2,1H3/t18-,24?,25?,26?,27?/m1/s1
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| InChIKey |
ZSJXCCAWETXSOR-HFQBRLDPSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor