General Information of the Compound
| Compound ID |
CP0458321
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| Compound Name |
2-(3-(7-hydroxy-5-methyl-4-oxo-4,5-dihydro-[1,2,3]triazolo[1,5-a]quinoxalin-3-yl)propanamido)benzoic acid
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| Structure |
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| Formula |
C20H17N5O5
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| Molecular Weight |
407.386
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| Canonical SMILES |
Cn1c2cc(O)ccc2n2nnc(CCC(=O)Nc3ccccc3C(O)=O)c2c1=O
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| InChI |
InChI=1S/C20H17N5O5/c1-24-16-10-11(26)6-8-15(16)25-18(19(24)28)14(22-23-25)7-9-17(27)21-13-5-3-2-4-12(13)20(29)30/h2-6,8,10,26H,7,9H2,1H3,(H,21,27)(H,29,30)
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| InChIKey |
AXLXHCUJAXCMJR-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