General Information of the Compound
| Compound ID |
CP0873131
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| Compound Name |
(R)-3-(3-(1-amino-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazo1-5-yl)-5-(trifluoromethoxy)benzonitrile
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| Structure |
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| Formula |
C19H13F3N4O2
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| Molecular Weight |
386.333
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| Canonical SMILES |
N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)c1
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| InChI |
InChI=1S/C19H13F3N4O2/c20-19(21,22)27-12-7-10(9-23)6-11(8-12)18-25-17(26-28-18)15-3-1-2-14-13(15)4-5-16(14)24/h1-3,6-8,16H,4-5,24H2/t16-/m1/s1
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| InChIKey |
XAERKLIJSNPEDC-MRXNPFEDSA-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