General Information of the Compound
| Compound ID |
CP0326951
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| Compound Name |
2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid
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| Structure |
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| Formula |
C22H21F3N4O3
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| Molecular Weight |
446.429
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| Canonical SMILES |
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)cn2cnnc12)C(F)(F)F)C(=O)C1CC1
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| InChI |
InChI=1S/C22H21F3N4O3/c1-2-28(21(32)14-3-4-14)11-15-9-16(22(23,24)25)5-6-17(15)18-7-13(8-19(30)31)10-29-12-26-27-20(18)29/h5-7,9-10,12,14H,2-4,8,11H2,1H3,(H,30,31)
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| InChIKey |
VEMLDKOVZZMSFA-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