General Information of the Compound
| Compound ID |
CP0528046
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| Compound Name |
6-(((3-chlorobenzyl)(methyl)amino)methyl)-N2-o-tolyl-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C19H21ClN6
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| Molecular Weight |
368.872
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| Canonical SMILES |
CN(Cc1cccc(Cl)c1)Cc1nc(N)nc(Nc2ccccc2C)n1
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| InChI |
InChI=1S/C19H21ClN6/c1-13-6-3-4-9-16(13)22-19-24-17(23-18(21)25-19)12-26(2)11-14-7-5-8-15(20)10-14/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
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| InChIKey |
JKDZPKCNFNMCKB-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