General Information of the Compound
| Compound ID |
CP0508210
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| Compound Name |
N-[2-[2-[(3-chlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
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| Structure |
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| Formula |
C24H23ClN6O3
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| Molecular Weight |
478.94
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2cnc(NCc3cccc(Cl)c3)nc2n(CCNC(C)=O)c1=O
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| InChI |
InChI=1S/C24H23ClN6O3/c1-15(32)26-10-11-31-22-20(29-21(23(31)33)17-6-8-19(34-2)9-7-17)14-28-24(30-22)27-13-16-4-3-5-18(25)12-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,26,32)(H,27,28,30)
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| InChIKey |
YGUNSISMZUVZGU-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