General Information of the Compound
| Compound ID |
CP0439772
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| Compound Name |
1-(2-(5-(3,4-dichlorobenzyl)-4,6-dioxo-1-(4-propoxybenzyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
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| Structure |
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| Formula |
C23H27Cl2N7O3
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| Molecular Weight |
520.421
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| Canonical SMILES |
CCCOc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1
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| InChI |
InChI=1S/C23H27Cl2N7O3/c1-2-11-35-17-6-3-15(4-7-17)13-31-21(29-10-9-28-20(26)27)30-22(33)32(23(31)34)14-16-5-8-18(24)19(25)12-16/h3-8,12H,2,9-11,13-14H2,1H3,(H4,26,27,28)(H,29,30,33)
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| InChIKey |
AKTFAMMOPZKRNY-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