General Information of the Compound
| Compound ID |
CP0051868
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| Compound Name |
4-N-[(2,4-dichlorophenyl)methyl]-2-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H29Cl2N5
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| Molecular Weight |
410.393
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| Canonical SMILES |
CCN(CC)CCCC(C)Nc1nccc(NCc2ccc(Cl)cc2Cl)n1
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| InChI |
InChI=1S/C20H29Cl2N5/c1-4-27(5-2)12-6-7-15(3)25-20-23-11-10-19(26-20)24-14-16-8-9-17(21)13-18(16)22/h8-11,13,15H,4-7,12,14H2,1-3H3,(H2,23,24,25,26)
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| InChIKey |
STXUPEUBCKDDQA-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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Table of Molecular Bioactivities Related to the Compound