General Information of the Compound
| Compound ID |
CP0946729
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| Compound Name |
(R)-5-(3-(1-(2-(aziridin-1-yl)-2-oxoethylamino)-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 |
C25H25N5O3
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| Molecular Weight |
443.507
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC3)no2)cc1C#N
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| InChI |
InChI=1S/C25H25N5O3/c1-15(2)32-22-9-6-16(12-17(22)13-26)25-28-24(29-33-25)20-5-3-4-19-18(20)7-8-21(19)27-14-23(31)30-10-11-30/h3-6,9,12,15,21,27H,7-8,10-11,14H2,1-2H3/t21-/m1/s1
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| InChIKey |
MKHXAWNHDCTILD-OAQYLSRUSA-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