General Information of the Compound
| Compound ID |
CP0887598
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| Compound Name |
(S)-2-(7-(4-methoxypiperidin-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 |
C23H26F3N5O4
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| Molecular Weight |
493.486
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| Canonical SMILES |
COC1CCN(c2ccn3c(=O)n(CC(=O)N[C@@H](C)c4ccc(OC(F)(F)F)cc4)nc3c2)CC1
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| InChI |
InChI=1S/C23H26F3N5O4/c1-15(16-3-5-19(6-4-16)35-23(24,25)26)27-21(32)14-31-22(33)30-12-7-17(13-20(30)28-31)29-10-8-18(34-2)9-11-29/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,27,32)/t15-/m0/s1
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| InChIKey |
ODCLSKIDUGQAKZ-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