General Information of the Compound
| Compound ID |
CP0459835
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| Compound Name |
5-N-(3,5-dichloropyridin-2-yl)-3,6-dimethyl-2-N-pentan-3-ylpyrazine-2,5-diamine
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| Structure |
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| Formula |
C16H21Cl2N5
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| Molecular Weight |
354.285
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| Canonical SMILES |
CCC(CC)Nc1nc(C)c(Nc2ncc(Cl)cc2Cl)nc1C
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| InChI |
InChI=1S/C16H21Cl2N5/c1-5-12(6-2)22-14-9(3)21-15(10(4)20-14)23-16-13(18)7-11(17)8-19-16/h7-8,12H,5-6H2,1-4H3,(H,20,22)(H,19,21,23)
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| InChIKey |
RGIVFAKJRTZQGY-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