General Information of the Compound
| Compound ID |
CP0569214
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| Compound Name |
methyl 4-amino-2-butyl-1-(3-methylsulfanylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
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| Structure |
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| Formula |
C20H26N4O2S
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| Molecular Weight |
386.521
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| Canonical SMILES |
CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCSC)C(=O)OC
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| InChI |
InChI=1S/C20H26N4O2S/c1-4-5-7-16-23-17-18(24(16)10-6-11-27-3)14-9-8-13(20(25)26-2)12-15(14)22-19(17)21/h8-9,12H,4-7,10-11H2,1-3H3,(H2,21,22)
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| InChIKey |
DVHAEOYHPQYKBH-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