General Information of the Compound
| Compound ID |
CP0870298
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| Compound Name |
(S)-2-(8-((2,2-difluoroethyl)amino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)-N-(1-(p-tolyl)ethyl)acetamide
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| Structure |
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| Formula |
C19H21F2N5O2
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| Molecular Weight |
389.406
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| Canonical SMILES |
Cc1ccc([C@H](C)NC(=O)Cn2nc3c(NCC(F)F)cccn3c2=O)cc1
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| InChI |
InChI=1S/C19H21F2N5O2/c1-12-5-7-14(8-6-12)13(2)23-17(27)11-26-19(28)25-9-3-4-15(18(25)24-26)22-10-16(20)21/h3-9,13,16,22H,10-11H2,1-2H3,(H,23,27)/t13-/m0/s1
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| InChIKey |
AVEAZGQQVAVKTJ-ZDUSSCGKSA-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