General Information of the Compound
| Compound ID |
CP0543537
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| Compound Name |
2-(3-(4-((4-Amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)methyl)benzyl)thioureido)-6-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
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| Structure |
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| Formula |
C43H36N6O5S
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| Molecular Weight |
748.865
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| Canonical SMILES |
CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=S)Nc2cccc(c2C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1
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| InChI |
InChI=1S/C43H36N6O5S/c1-2-3-11-36-48-39-40(28-7-4-5-9-32(28)46-41(39)44)49(36)23-25-14-12-24(13-15-25)22-45-43(55)47-33-10-6-8-31(38(33)42(52)53)37-29-18-16-26(50)20-34(29)54-35-21-27(51)17-19-30(35)37/h4-10,12-21,50H,2-3,11,22-23H2,1H3,(H2,44,46)(H,52,53)(H2,45,47,55)
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| InChIKey |
XFMSSWZZPCOHHS-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