General Information of the Compound
| Compound ID |
CP0501989
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| Compound Name |
2-(3,5-bis(trifluoromethyl)benzyloxy)-1-phenyl-6-(phenylsulfonyl)-8-aza-bicyclo[3.2.1]octane
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| Structure |
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| Formula |
C28H25F6NO3S
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| Molecular Weight |
569.567
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| Canonical SMILES |
FC(F)(F)c1cc(COC2CCC3NC2(CC3S(=O)(=O)c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H25F6NO3S/c29-27(30,31)20-13-18(14-21(15-20)28(32,33)34)17-38-25-12-11-23-24(39(36,37)22-9-5-2-6-10-22)16-26(25,35-23)19-7-3-1-4-8-19/h1-10,13-15,23-25,35H,11-12,16-17H2
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| InChIKey |
MXKZKTBJVYCBDH-UHFFFAOYSA-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