General Information of the Compound
| Compound ID |
CP0245073
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| Compound Name |
4-[2-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]ethynyl]benzoic acid
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| Formula |
C19H10F3NO5
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| Molecular Weight |
389.285
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C19H10F3NO5/c20-19(21,22)17-15(23(26)27)10-14-9-12(5-8-16(14)28-17)2-1-11-3-6-13(7-4-11)18(24)25/h3-10,17H,(H,24,25)
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| InChIKey |
YHEJLDMRDBHXIJ-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