General Information of the Compound
| Compound ID |
CP0883363
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| Compound Name |
(S)-5-(3-(1-(2,2-difluoroethylamino)-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 |
C23H22F2N4O2
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| Molecular Weight |
424.451
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(F)F)no2)cc1C#N
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| InChI |
InChI=1S/C23H22F2N4O2/c1-13(2)30-20-9-6-14(10-15(20)11-26)23-28-22(29-31-23)18-5-3-4-17-16(18)7-8-19(17)27-12-21(24)25/h3-6,9-10,13,19,21,27H,7-8,12H2,1-2H3/t19-/m0/s1
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| InChIKey |
IVXNURBUWMRJKE-IBGZPJMESA-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