General Information of the Compound
| Compound ID |
CP0481722
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| Compound Name |
1-(2-(1-(4-hydroxybenzyl)-5-(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 |
C21H25N7O4
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| Molecular Weight |
439.476
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| Canonical SMILES |
COc1ccc(Cn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(O)cc3)c2=O)cc1
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| InChI |
InChI=1S/C21H25N7O4/c1-32-17-8-4-15(5-9-17)13-28-20(30)26-19(25-11-10-24-18(22)23)27(21(28)31)12-14-2-6-16(29)7-3-14/h2-9,29H,10-13H2,1H3,(H4,22,23,24)(H,25,26,30)
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| InChIKey |
YWLKCUGXUBOTNS-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