General Information of the Compound
| Compound ID |
CP0955063
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| Compound Name |
(R)-4-(5-(4-ethoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ol
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| Structure |
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| Formula |
C19H17N3O5
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| Molecular Weight |
367.361
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| Canonical SMILES |
CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1[N+](=O)[O-]
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| InChI |
InChI=1S/C19H17N3O5/c1-2-26-17-9-6-11(10-15(17)22(24)25)19-20-18(21-27-19)14-5-3-4-13-12(14)7-8-16(13)23/h3-6,9-10,16,23H,2,7-8H2,1H3/t16-/m1/s1
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| InChIKey |
NLNXWLFGILEYMA-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