General Information of the Compound
| Compound ID |
CP0686586
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| Compound Name |
2-(4-((2-amino-4-hydroxyquinazolin-6-yl)methylthio)benzamido)pentanedioic acid
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| Structure |
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| Formula |
C21H20N4O6S
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| Molecular Weight |
456.48
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| Canonical SMILES |
Nc1nc(=O)c2cc(CSc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)ccc2[nH]1
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| InChI |
InChI=1S/C21H20N4O6S/c22-21-24-15-6-1-11(9-14(15)19(29)25-21)10-32-13-4-2-12(3-5-13)18(28)23-16(20(30)31)7-8-17(26)27/h1-6,9,16H,7-8,10H2,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)
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| InChIKey |
ODCVTOPBKJUPAR-UHFFFAOYSA-N
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| CAS |
64088-74-0
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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