General Information of the Compound
| Compound ID |
CP0883364
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| Compound Name |
(R)-2-isopropoxy-5-(3-(1-(methylamino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
CN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C22H22N4O2/c1-13(2)27-20-10-7-14(11-15(20)12-23)22-25-21(26-28-22)18-6-4-5-17-16(18)8-9-19(17)24-3/h4-7,10-11,13,19,24H,8-9H2,1-3H3/t19-/m1/s1
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| InChIKey |
XKQLEHAUNQHZBK-LJQANCHMSA-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