General Information of the Compound
| Compound ID |
CP0906183
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| Compound Name |
5-(3-(1-((R)-2,3-dihydroxypropylamino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile
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| Structure |
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| Formula |
C24H26N4O4
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| Molecular Weight |
434.496
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@@H](O)CO)no2)cc1C#N
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| InChI |
InChI=1S/C24H26N4O4/c1-14(2)31-22-9-6-15(10-16(22)11-25)24-27-23(28-32-24)20-5-3-4-19-18(20)7-8-21(19)26-12-17(30)13-29/h3-6,9-10,14,17,21,26,29-30H,7-8,12-13H2,1-2H3/t17-,21?/m1/s1
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| InChIKey |
BSLMIIQJFVWIDM-OQHSHRKDSA-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