General Information of the Compound
| Compound ID |
CP0208067
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| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-(3-cyano-propyl)-amino]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C25H26N6O6
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| Molecular Weight |
506.519
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| Canonical SMILES |
Nc1nc2ccc(CN(CCCC#N)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C25H26N6O6/c26-11-1-2-12-31(14-15-3-8-19-18(13-15)23(35)30-25(27)29-19)17-6-4-16(5-7-17)22(34)28-20(24(36)37)9-10-21(32)33/h3-8,13,20H,1-2,9-10,12,14H2,(H,28,34)(H,32,33)(H,36,37)(H3,27,29,30,35)
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| InChIKey |
LJZGYVCKUBAVCC-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