General Information of the Compound
| Compound ID |
CP0424811
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| Compound Name |
2-ethyl-1-[(3R)-1-{[5-(trifluoromethoxy)-1H-indol-2-yl]carbonyl}pyrrolidin-3-yl]-1H-1,3-benzodiazole
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| Structure |
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| Formula |
C23H21F3N4O2
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| Molecular Weight |
442.441
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| Canonical SMILES |
CCc1nc2ccccc2n1[C@@H]1CCN(C1)C(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
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| InChI |
InChI=1S/C23H21F3N4O2/c1-2-21-28-18-5-3-4-6-20(18)30(21)15-9-10-29(13-15)22(31)19-12-14-11-16(32-23(24,25)26)7-8-17(14)27-19/h3-8,11-12,15,27H,2,9-10,13H2,1H3/t15-/m1/s1
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| InChIKey |
OPDMNQXBFDZQTH-OAHLLOKOSA-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: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2