General Information of the Compound
| Compound ID |
CP0789127
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| Compound Name |
(2-Chloro-4,6-dimethyl-phenyl)-[1-(2-methoxy-1-methoxymethyl-ethyl)-6-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-4-yl]-amine; compound with methanesulfonic acid
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| Structure |
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| Formula |
C20H28ClN5O5S
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| Molecular Weight |
485.994
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| Canonical SMILES |
COCC(COC)n1nnc2c(Nc3c(C)cc(C)cc3Cl)nc(C)cc21.CS(=O)(=O)O
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| InChI |
InChI=1S/C19H24ClN5O2.CH4O3S/c1-11-6-12(2)17(15(20)7-11)22-19-18-16(8-13(3)21-19)25(24-23-18)14(9-26-4)10-27-5;1-5(2,3)4/h6-8,14H,9-10H2,1-5H3,(H,21,22);1H3,(H,2,3,4)
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| InChIKey |
PGYYZEKTXZRSPI-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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