General Information of the Compound
| Compound ID |
CP0558076
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| Compound Name |
(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethylpyridin-3-yl)-(3-methyltriazol-4-yl)methanol
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| Structure |
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| Formula |
C24H26ClN5O3
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| Molecular Weight |
467.957
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1OC(C)C)C(O)(c1cnnn1C)c1ccc(C)nc1C
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| InChI |
InChI=1S/C24H26ClN5O3/c1-13(2)33-22-21(25)17-11-16(8-10-19(17)28-23(22)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4/h7-13,31H,1-6H3
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| InChIKey |
NVCXEJIUKPNISG-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