General Information of the Compound
| Compound ID |
CP0098443
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| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-(2-oxo-2-phenyl-ethyl)-amino]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C29H27N5O7
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| Molecular Weight |
557.563
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| Canonical SMILES |
Nc1nc2ccc(CN(CC(=O)c3ccccc3)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C29H27N5O7/c30-29-32-22-11-6-17(14-21(22)27(39)33-29)15-34(16-24(35)18-4-2-1-3-5-18)20-9-7-19(8-10-20)26(38)31-23(28(40)41)12-13-25(36)37/h1-11,14,23H,12-13,15-16H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)
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| InChIKey |
XEGWGNSMRDJJNQ-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