General Information of the Compound
| Compound ID |
CP0254769
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| Compound Name |
6-(3,3-dimethylbut-1-ynyl)-3-nitro-2-(trifluoromethyl)-2H-chromene
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| Formula |
C16H14F3NO3
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| Molecular Weight |
325.286
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| Canonical SMILES |
CC(C)(C)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C16H14F3NO3/c1-15(2,3)7-6-10-4-5-13-11(8-10)9-12(20(21)22)14(23-13)16(17,18)19/h4-5,8-9,14H,1-3H3
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| InChIKey |
NACDNYRCONOWLY-UHFFFAOYSA-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