General Information of the Compound
| Compound ID |
CP0076411
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| Compound Name |
CHEMBL1289267
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| Formula |
C22H20F3N3O3
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| Molecular Weight |
431.414
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| Canonical SMILES |
FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1
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| InChI |
InChI=1S/C22H20F3N3O3/c23-22(24,25)30-16-6-7-17-18(12-16)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)31-21)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-
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| InChIKey |
KDNNOONPIUSODK-HNSKJHPRSA-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