General Information of the Compound
| Compound ID |
CP0176096
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| Compound Name |
1-ethyl-3-[4-[7-methyl-6-(1,4-oxazepan-4-yl)purin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCCOCC2)c2n(C)cnc2n1
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| InChI |
InChI=1S/C20H25N7O2/c1-3-21-20(28)23-15-7-5-14(6-8-15)17-24-18-16(26(2)13-22-18)19(25-17)27-9-4-11-29-12-10-27/h5-8,13H,3-4,9-12H2,1-2H3,(H2,21,23,28)
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| InChIKey |
OYGGKACTHFOZAZ-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