General Information of the Compound
| Compound ID |
CP0534352
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| Compound Name |
[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethylpyridin-3-yl)-(3-methyltriazol-4-yl)methanol
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| Structure |
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| Formula |
C25H23ClN6O3S
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| Molecular Weight |
523.018
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1OCc1nccs1)C(O)(c1cnnn1C)c1ccc(C)nc1C
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| InChI |
InChI=1S/C25H23ClN6O3S/c1-14-5-7-18(15(2)29-14)25(33,20-12-28-31-32(20)3)16-6-8-19-17(11-16)22(26)23(24(30-19)34-4)35-13-21-27-9-10-36-21/h5-12,33H,13H2,1-4H3
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| InChIKey |
DWBNKPODTICBHZ-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