General Information of the Compound
| Compound ID |
CP0114675
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| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-carboxymethyl-amino]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C23H23N5O8
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| Molecular Weight |
497.464
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| Canonical SMILES |
Nc1nc2ccc(CN(CC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H23N5O8/c24-23-26-16-6-1-12(9-15(16)21(34)27-23)10-28(11-19(31)32)14-4-2-13(3-5-14)20(33)25-17(22(35)36)7-8-18(29)30/h1-6,9,17H,7-8,10-11H2,(H,25,33)(H,29,30)(H,31,32)(H,35,36)(H3,24,26,27,34)
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| InChIKey |
CUDSTWFEYRLXCK-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