General Information of the Compound
| Compound ID |
CP0459572
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| Compound Name |
N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide
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| Structure |
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| Formula |
C22H19Cl2N7O2
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| Molecular Weight |
484.347
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| Canonical SMILES |
CC(=O)NCCn1c2nc(NCc3ccc(Cl)c(Cl)c3)ncc2nc(-c2cccnc2)c1=O
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| InChI |
InChI=1S/C22H19Cl2N7O2/c1-13(32)26-7-8-31-20-18(29-19(21(31)33)15-3-2-6-25-11-15)12-28-22(30-20)27-10-14-4-5-16(23)17(24)9-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,26,32)(H,27,28,30)
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| InChIKey |
AUSRQKFDMUEKHR-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