General Information of the Compound
| Compound ID |
CP0572521
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| Compound Name |
methyl 4-[2-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]ethynyl]benzoate
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| Formula |
C20H12F3NO5
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| Molecular Weight |
403.312
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| Canonical SMILES |
COC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C20H12F3NO5/c1-28-19(25)14-7-4-12(5-8-14)2-3-13-6-9-17-15(10-13)11-16(24(26)27)18(29-17)20(21,22)23/h4-11,18H,1H3
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| InChIKey |
HHNDBZYYAJDDKI-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