General Information of the Compound
| Compound ID |
CP0467329
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| Compound Name |
2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)-1-(4-fluorophenyl)-N-(phenylsulfonyl)-8-aza-bicyclo[3.2.1]octane-6-carboxamide
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| Structure |
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| Formula |
C31H31F4N3O5S
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| Molecular Weight |
633.664
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| Canonical SMILES |
Fc1ccc(cc1)C12CC(C(CCC1NCc1cc(OC(F)(F)F)ccc1OC1CC1)N2)C(=O)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C31H31F4N3O5S/c32-21-8-6-20(7-9-21)30-17-25(29(39)38-44(40,41)24-4-2-1-3-5-24)26(37-30)13-15-28(30)36-18-19-16-23(43-31(33,34)35)12-14-27(19)42-22-10-11-22/h1-9,12,14,16,22,25-26,28,36-37H,10-11,13,15,17-18H2,(H,38,39)
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| InChIKey |
XVOFQVYYIGNDLB-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