General Information of the Compound
| Compound ID |
CP0946720
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| Compound Name |
(S)-2-isopropoxy-5-(3-(1-(isopropylamino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C24H26N4O2
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| Molecular Weight |
402.498
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| Canonical SMILES |
CC(C)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C24H26N4O2/c1-14(2)26-21-10-9-18-19(21)6-5-7-20(18)23-27-24(30-28-23)16-8-11-22(29-15(3)4)17(12-16)13-25/h5-8,11-12,14-15,21,26H,9-10H2,1-4H3/t21-/m0/s1
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| InChIKey |
OWSDAXGYLIGOSW-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