General Information of the Compound
| Compound ID |
CP0485475
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| Compound Name |
4-[6-Methoxy-7-(2-pyrrolidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
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| Structure |
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| Formula |
C28H34N6O4S
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| Molecular Weight |
550.685
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCC1)N1CCN(CC1)C(=S)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H34N6O4S/c1-35-24-15-21-22(16-26(24)36-13-12-32-6-2-3-7-32)30-18-31-27(21)33-8-10-34(11-9-33)28(39)29-17-20-4-5-23-25(14-20)38-19-37-23/h4-5,14-16,18H,2-3,6-13,17,19H2,1H3,(H,29,39)
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| InChIKey |
YRPZHVXTMXWGGW-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