General Information of the Compound
| Compound ID |
CP0955059
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| Compound Name |
2-isopropoxy-5-(3-(1-(2-(piperazin-1-yl)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 |
C27H32N6O2
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| Molecular Weight |
472.593
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN3CCNCC3)no2)cc1C#N
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| InChI |
InChI=1S/C27H32N6O2/c1-18(2)34-25-9-6-19(16-20(25)17-28)27-31-26(32-35-27)23-5-3-4-22-21(23)7-8-24(22)30-12-15-33-13-10-29-11-14-33/h3-6,9,16,18,24,29-30H,7-8,10-15H2,1-2H3
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| InChIKey |
UFBUAIXWXWEWDI-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