General Information of the Compound
| Compound ID |
CP0933061
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| Compound Name |
2-isopropoxy-5-(3-(1-(2-(methylamino)ethylamino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C24H27N5O2
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| Molecular Weight |
417.513
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| Canonical SMILES |
CNCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C24H27N5O2/c1-15(2)30-22-10-7-16(13-17(22)14-25)24-28-23(29-31-24)20-6-4-5-19-18(20)8-9-21(19)27-12-11-26-3/h4-7,10,13,15,21,26-27H,8-9,11-12H2,1-3H3
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| InChIKey |
XUPAHVLQFBGOOQ-UHFFFAOYSA-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