General Information of the Compound
| Compound ID |
CP0954290
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| Compound Name |
(S)-2-(7-(4-methylpiperazin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide
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| Structure |
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| Formula |
C22H25F3N6O3
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| Molecular Weight |
478.475
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2cc(N3CCN(C)CC3)ccn2c1=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H25F3N6O3/c1-15(16-3-5-18(6-4-16)34-22(23,24)25)26-20(32)14-31-21(33)30-8-7-17(13-19(30)27-31)29-11-9-28(2)10-12-29/h3-8,13,15H,9-12,14H2,1-2H3,(H,26,32)/t15-/m0/s1
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| InChIKey |
DLJFBRDKEMAGSW-HNNXBMFYSA-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