General Information of the Compound
| Compound ID |
CP0883356
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| Compound Name |
5-(3-(1-(2-(diethylamino)ethylamino)-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 |
C27H33N5O2
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| Molecular Weight |
459.594
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| Canonical SMILES |
CCN(CC)CCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C27H33N5O2/c1-5-32(6-2)15-14-29-24-12-11-21-22(24)8-7-9-23(21)26-30-27(34-31-26)19-10-13-25(33-18(3)4)20(16-19)17-28/h7-10,13,16,18,24,29H,5-6,11-12,14-15H2,1-4H3
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| InChIKey |
TUJQCXRBGUFPAL-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