General Information of the Compound
| Compound ID |
CP0567912
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| Compound Name |
3-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]prop-2-yn-1-ol
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| Formula |
C13H8F3NO4
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| Molecular Weight |
299.204
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| Canonical SMILES |
OCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C13H8F3NO4/c14-13(15,16)12-10(17(19)20)7-9-6-8(2-1-5-18)3-4-11(9)21-12/h3-4,6-7,12,18H,5H2
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| InChIKey |
SVQZOZIORMMEFH-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