General Information of the Compound
| Compound ID |
CP0946704
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| Compound Name |
(S)-5-(3-(1-((1H-benzo[d]imidazol-2-yl)methylamino)-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 |
C29H26N6O2
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| Molecular Weight |
490.567
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3nc4ccccc4[nH]3)no2)cc1C#N
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| InChI |
InChI=1S/C29H26N6O2/c1-17(2)36-26-13-10-18(14-19(26)15-30)29-34-28(35-37-29)22-7-5-6-21-20(22)11-12-23(21)31-16-27-32-24-8-3-4-9-25(24)33-27/h3-10,13-14,17,23,31H,11-12,16H2,1-2H3,(H,32,33)/t23-/m0/s1
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| InChIKey |
WVGSMYHTAUFICE-QHCPKHFHSA-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