General Information of the Compound
| Compound ID |
CP0949762
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| Compound Name |
(S)-4-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)butanoic acid
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| Structure |
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| Formula |
C25H26N4O4
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| Molecular Weight |
446.507
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCCC(=O)O)no2)cc1C#N
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| InChI |
InChI=1S/C25H26N4O4/c1-15(2)32-22-11-8-16(13-17(22)14-26)25-28-24(29-33-25)20-6-3-5-19-18(20)9-10-21(19)27-12-4-7-23(30)31/h3,5-6,8,11,13,15,21,27H,4,7,9-10,12H2,1-2H3,(H,30,31)/t21-/m0/s1
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| InChIKey |
YQNXSZVSPIMTGY-NRFANRHFSA-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