General Information of the Compound
| Compound ID |
CP0380567
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| Compound Name |
4-{6-Methoxy-7-[3-(2,2,2-trifluoro-ethanesulfonyl)-propoxy]-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C28H34F3N5O6S
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| Molecular Weight |
625.67
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCS(=O)(=O)CC(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C28H34F3N5O6S/c1-19(2)42-21-7-5-20(6-8-21)34-27(37)36-11-9-35(10-12-36)26-22-15-24(40-3)25(16-23(22)32-18-33-26)41-13-4-14-43(38,39)17-28(29,30)31/h5-8,15-16,18-19H,4,9-14,17H2,1-3H3,(H,34,37)
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| InChIKey |
BEJDIUNIXMJSJK-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