General Information of the Compound
| Compound ID |
CP0453322
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| Compound Name |
4-{6-Methoxy-7-[3-(3-methyl-butane-1-sulfonyl)-propoxy]-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C31H43N5O6S
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| Molecular Weight |
613.781
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCS(=O)(=O)CCC(C)C)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C31H43N5O6S/c1-22(2)11-18-43(38,39)17-6-16-41-29-20-27-26(19-28(29)40-5)30(33-21-32-27)35-12-14-36(15-13-35)31(37)34-24-7-9-25(10-8-24)42-23(3)4/h7-10,19-23H,6,11-18H2,1-5H3,(H,34,37)
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| InChIKey |
WTFQTDJXZDGOHR-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