General Information of the Compound
| Compound ID |
CP0473764
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| Compound Name |
1-(2-(5-(3,4-dichlorobenzyl)-1-hexyl-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 |
C19H27Cl2N7O2
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| Molecular Weight |
456.378
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| Canonical SMILES |
CCCCCCn1c(NCCN=C(N)N)nc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O
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| InChI |
InChI=1S/C19H27Cl2N7O2/c1-2-3-4-5-10-27-17(25-9-8-24-16(22)23)26-18(29)28(19(27)30)12-13-6-7-14(20)15(21)11-13/h6-7,11H,2-5,8-10,12H2,1H3,(H4,22,23,24)(H,25,26,29)
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| InChIKey |
BDNLOAMMLSTYIO-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