General Information of the Compound
| Compound ID |
CP0933074
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| Compound Name |
(R)-3-(3-(1-amino-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazo1-5-yl)benzonitrie
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| Structure |
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| Formula |
C18H14N4O
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| Molecular Weight |
302.337
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| Canonical SMILES |
N#Cc1cccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)c1
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| InChI |
InChI=1S/C18H14N4O/c19-10-11-3-1-4-12(9-11)18-21-17(22-23-18)15-6-2-5-14-13(15)7-8-16(14)20/h1-6,9,16H,7-8,20H2/t16-/m1/s1
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| InChIKey |
HTRWOPUHUAKTSQ-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