General Information of the Compound
| Compound ID |
CP0578319
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| Compound Name |
3,3-dimethyl-5-[3-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]prop-2-ynylamino]-5-oxopentanoic acid
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| Formula |
C20H19F3N2O6
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| Molecular Weight |
440.374
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| Canonical SMILES |
CC(C)(CC(O)=O)CC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C20H19F3N2O6/c1-19(2,11-17(27)28)10-16(26)24-7-3-4-12-5-6-15-13(8-12)9-14(25(29)30)18(31-15)20(21,22)23/h5-6,8-9,18H,7,10-11H2,1-2H3,(H,24,26)(H,27,28)
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| InChIKey |
XFHRHDXYFBXLIQ-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