General Information of the Compound
| Compound ID |
CP0473763
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| Compound Name |
1-(2-(5-(3-methoxybenzyl)-1-(4-methoxybenzyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
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| Structure |
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| Formula |
C22H27N7O4
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| Molecular Weight |
453.503
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| Canonical SMILES |
COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3cccc(OC)c3)c2=O)cc1
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| InChI |
InChI=1S/C22H27N7O4/c1-32-17-8-6-15(7-9-17)13-28-20(26-11-10-25-19(23)24)27-21(30)29(22(28)31)14-16-4-3-5-18(12-16)33-2/h3-9,12H,10-11,13-14H2,1-2H3,(H4,23,24,25)(H,26,27,30)
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| InChIKey |
BKDGWHBCHIFQHT-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