General Information of the Compound
| Compound ID |
CP0576216
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| Compound Name |
5-[3-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]prop-2-ynylamino]-5-oxopentanoic acid
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| Formula |
C18H15F3N2O6
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| Molecular Weight |
412.32
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| Canonical SMILES |
OC(=O)CCCC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C18H15F3N2O6/c19-18(20,21)17-13(23(27)28)10-12-9-11(6-7-14(12)29-17)3-2-8-22-15(24)4-1-5-16(25)26/h6-7,9-10,17H,1,4-5,8H2,(H,22,24)(H,25,26)
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| InChIKey |
KVCOKUQHRUQGEF-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