General Information of the Compound
| Compound ID |
CP0539046
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| Compound Name |
1-[4-[2-amino-4-(2-methylpropyl)-5-oxo-4H-imidazol-3-yl]-6-anilino-1,3,5-triazin-2-yl]-1,2,3,3-tetramethylguanidine
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| Formula |
C21H30N10O
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| Molecular Weight |
438.54
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| Canonical SMILES |
C\N=C(/N(C)C)N(C)c1nc(Nc2ccccc2)nc(n1)N1C(CC(C)C)C(=O)N=C1N
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| InChI |
InChI=1S/C21H30N10O/c1-13(2)12-15-16(32)25-17(22)31(15)20-27-18(24-14-10-8-7-9-11-14)26-19(28-20)30(6)21(23-3)29(4)5/h7-11,13,15H,12H2,1-6H3,(H2,22,25,32)(H,24,26,27,28)/b23-21+
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| InChIKey |
GJVCTWZJWRVIME-XTQSDGFTSA-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