General Information of the Compound
| Compound ID |
CP0451817
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| Compound Name |
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (2-chloro-6-methyl-pyridin-3-ylmethyl)-amide
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| Structure |
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| Formula |
C28H36ClN7O2S
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| Molecular Weight |
570.163
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(C)nc1Cl
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| InChI |
InChI=1S/C28H36ClN7O2S/c1-20-6-7-21(26(29)33-20)18-30-28(39)36-12-10-35(11-13-36)27-22-16-24(37-2)25(17-23(22)31-19-32-27)38-15-14-34-8-4-3-5-9-34/h6-7,16-17,19H,3-5,8-15,18H2,1-2H3,(H,30,39)
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| InChIKey |
CGOFUAFJIPNUDQ-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