General Information of the Compound
| Compound ID |
CP0472246
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| Compound Name |
1-(3-(5-(3,4-dichlorobenzyl)-1-(4-methoxybenzyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)propyl)guanidine
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| Structure |
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| Formula |
C22H25Cl2N7O3
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| Molecular Weight |
506.394
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| Canonical SMILES |
COc1ccc(Cn2c(NCCCN=C(N)N)nc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1
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| InChI |
InChI=1S/C22H25Cl2N7O3/c1-34-16-6-3-14(4-7-16)12-30-20(28-10-2-9-27-19(25)26)29-21(32)31(22(30)33)13-15-5-8-17(23)18(24)11-15/h3-8,11H,2,9-10,12-13H2,1H3,(H4,25,26,27)(H,28,29,32)
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| InChIKey |
RJXOLZGNTCXFFZ-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