General Information of the Compound
| Compound ID |
CP0449234
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| Compound Name |
5-N-(2-chloro-4-methoxyphenyl)-5-N-methyl-7-N,7-N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C19H25ClN6O
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| Molecular Weight |
388.903
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| Canonical SMILES |
CCCN(CCC)c1cc(nc2ncnn12)N(C)c1ccc(OC)cc1Cl
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| InChI |
InChI=1S/C19H25ClN6O/c1-5-9-25(10-6-2)18-12-17(23-19-21-13-22-26(18)19)24(3)16-8-7-14(27-4)11-15(16)20/h7-8,11-13H,5-6,9-10H2,1-4H3
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| InChIKey |
RPRKVHJASHDEOD-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