General Information of the Compound
| Compound ID |
CP0576215
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| Compound Name |
methyl 5-[3-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]prop-2-ynylamino]-5-oxopentanoate
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| Formula |
C19H17F3N2O6
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| Molecular Weight |
426.347
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| Canonical SMILES |
COC(=O)CCCC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N2O6/c1-29-17(26)6-2-5-16(25)23-9-3-4-12-7-8-15-13(10-12)11-14(24(27)28)18(30-15)19(20,21)22/h7-8,10-11,18H,2,5-6,9H2,1H3,(H,23,25)
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| InChIKey |
LGZRVHUEGXVFER-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