General Information of the Compound
| Compound ID |
CP0467290
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| Compound Name |
5-(2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)-1-phenyl-8-aza-bicyclo[3.2.1]octan-6-yl)-2H-1,2,4-triazol-3(4H)-one
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| Structure |
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| Formula |
C26H28F3N5O3
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| Molecular Weight |
515.536
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| Canonical SMILES |
FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3NC2(CC3c2n[nH]c(=O)[nH]2)c2ccccc2)c1
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| InChI |
InChI=1S/C26H28F3N5O3/c27-26(28,29)37-18-8-10-21(36-17-6-7-17)15(12-18)14-30-22-11-9-20-19(23-31-24(35)34-33-23)13-25(22,32-20)16-4-2-1-3-5-16/h1-5,8,10,12,17,19-20,22,30,32H,6-7,9,11,13-14H2,(H2,31,33,34,35)
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| InChIKey |
QKMNCMIKEOYLQG-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