General Information of the Compound
| Compound ID |
CP0257241
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| Compound Name |
(3aR,6aR)-3-[4-nitro-3-(trifluoromethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
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| Structure |
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| Formula |
C13H11F3N2O3
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| Molecular Weight |
300.236
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NO[C@@H]2CCC[C@H]12
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| InChI |
InChI=1S/C13H11F3N2O3/c14-13(15,16)9-6-7(4-5-10(9)18(19)20)12-8-2-1-3-11(8)21-17-12/h4-6,8,11H,1-3H2/t8-,11+/m0/s1
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| InChIKey |
PHPKNJVMRNRLMZ-GZMMTYOYSA-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