General Information of the Compound
| Compound ID |
CP0197158
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| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-(3-fluoro-benzyl)-amino]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C28H26FN5O6
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| Molecular Weight |
547.543
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| Canonical SMILES |
Nc1nc2ccc(CN(Cc3cccc(F)c3)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C28H26FN5O6/c29-19-3-1-2-16(12-19)14-34(15-17-4-9-22-21(13-17)26(38)33-28(30)32-22)20-7-5-18(6-8-20)25(37)31-23(27(39)40)10-11-24(35)36/h1-9,12-13,23H,10-11,14-15H2,(H,31,37)(H,35,36)(H,39,40)(H3,30,32,33,38)
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| InChIKey |
KBTQPTIDWDQLAO-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