General Information of the Compound
| Compound ID |
CP0535902
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| Compound Name |
4-N-[(2,4-dichlorophenyl)methyl]-2-N-[5-(diethylamino)pentan-2-yl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
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| Structure |
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| Formula |
C20H31Cl2N7
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| Molecular Weight |
440.423
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| Canonical SMILES |
CCN(CC)CCCC(C)Nc1nc(NC)nc(NCc2ccc(Cl)cc2Cl)n1
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| InChI |
InChI=1S/C20H31Cl2N7/c1-5-29(6-2)11-7-8-14(3)25-20-27-18(23-4)26-19(28-20)24-13-15-9-10-16(21)12-17(15)22/h9-10,12,14H,5-8,11,13H2,1-4H3,(H3,23,24,25,26,27,28)
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| InChIKey |
FTTQPHAONVFLKW-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