General Information of the Compound
| Compound ID |
CP0560210
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| Compound Name |
5-N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-3,6-diethyl-2-N-pentan-3-ylpyrazine-2,5-diamine
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| Structure |
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| Formula |
C21H30N6S
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| Molecular Weight |
398.58
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| Canonical SMILES |
CCC(CC)Nc1nc(CC)c(Nc2c(C)cc(C)c3nsnc23)nc1CC
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| InChI |
InChI=1S/C21H30N6S/c1-7-14(8-2)22-20-15(9-3)24-21(16(10-4)23-20)25-17-12(5)11-13(6)18-19(17)27-28-26-18/h11,14H,7-10H2,1-6H3,(H,22,23)(H,24,25)
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| InChIKey |
IXMRKADNZIDZKT-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