General Information of the Compound
| Compound ID |
CP0772248
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| Compound Name |
2-{3-Fluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ;hydrate (H2O)
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| Structure |
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| Formula |
C23H23FN4O6
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| Molecular Weight |
470.457
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| Canonical SMILES |
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3F)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H23FN4O6/c1-12-25-17-5-3-13(9-15(17)22(32)26-12)11-28(2)19-7-4-14(10-16(19)24)21(31)27-18(23(33)34)6-8-20(29)30/h3-5,7,9-10,18H,6,8,11H2,1-2H3,(H,27,31)(H,29,30)(H,33,34)(H,25,26,32)/t18-/m0/s1
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| InChIKey |
PPMNGUYXXMNROD-SFHVURJKSA-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