General Information of the Compound
| Compound ID |
CP0772279
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| Compound Name |
6-(2-chlorophenyl)-N2-isopropyl-N4-phenyl-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C18H18ClN5
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| Molecular Weight |
339.83
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| Canonical SMILES |
CC(C)Nc1nc(Nc2ccccc2)nc(-c2ccccc2Cl)n1
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| InChI |
InChI=1S/C18H18ClN5/c1-12(2)20-17-22-16(14-10-6-7-11-15(14)19)23-18(24-17)21-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,20,21,22,23,24)
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| InChIKey |
XTUJYUYJEDAYCK-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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