General Information of the Compound
| Compound ID |
CP0124788
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| Compound Name |
CHEMBL1289936
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| Formula |
C21H19F3N4O2
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| Molecular Weight |
416.403
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| Canonical SMILES |
FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1
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| InChI |
InChI=1S/C21H19F3N4O2/c22-21(23,24)14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)30-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-
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| InChIKey |
GUXLIRBXKZUWHG-UWELNFAVSA-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: PT01795, Neuropeptide Y receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2