General Information of the Compound
| Compound ID |
CP0906146
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| Compound Name |
(S)-1-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)guanidine
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| Structure |
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| Formula |
C22H22N6O2
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| Molecular Weight |
402.458
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=N)N)no2)cc1C#N
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| InChI |
InChI=1S/C22H22N6O2/c1-12(2)29-19-9-6-13(10-14(19)11-23)21-27-20(28-30-21)17-5-3-4-16-15(17)7-8-18(16)26-22(24)25/h3-6,9-10,12,18H,7-8H2,1-2H3,(H4,24,25,26)/t18-/m0/s1
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| InChIKey |
VZUTVMKBGITEJL-SFHVURJKSA-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