General Information of the Compound
| Compound ID |
CP0505850
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| Compound Name |
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C18H23ClN6O
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| Molecular Weight |
374.876
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| Canonical SMILES |
CCC(CC)Nc1c(C)c(Nc2ccc(OC)cc2Cl)nc2ncnn12
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| InChI |
InChI=1S/C18H23ClN6O/c1-5-12(6-2)22-17-11(3)16(24-18-20-10-21-25(17)18)23-15-8-7-13(26-4)9-14(15)19/h7-10,12,22H,5-6H2,1-4H3,(H,20,21,23,24)
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| InChIKey |
PJNQITGQTBQMIV-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