General Information of the Compound
| Compound ID |
CP0049103
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| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-(2-carboxy-ethyl)-amino]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C24H25N5O8
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| Molecular Weight |
511.491
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| Canonical SMILES |
Nc1nc2ccc(CN(CCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H25N5O8/c25-24-27-17-6-1-13(11-16(17)22(35)28-24)12-29(10-9-20(32)33)15-4-2-14(3-5-15)21(34)26-18(23(36)37)7-8-19(30)31/h1-6,11,18H,7-10,12H2,(H,26,34)(H,30,31)(H,32,33)(H,36,37)(H3,25,27,28,35)
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| InChIKey |
KKNPESJUCXLSLY-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