General Information of the Compound
| Compound ID |
CP0441721
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| Compound Name |
4-[6-Methoxy-7-(3-piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (5-methyl-pyrazin-2-ylmethyl)-amide
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| Structure |
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| Formula |
C28H38N8O2S
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| Molecular Weight |
550.733
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1cnc(C)cn1
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| InChI |
InChI=1S/C28H38N8O2S/c1-21-17-30-22(18-29-21)19-31-28(39)36-12-10-35(11-13-36)27-23-15-25(37-2)26(16-24(23)32-20-33-27)38-14-6-9-34-7-4-3-5-8-34/h15-18,20H,3-14,19H2,1-2H3,(H,31,39)
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| InChIKey |
MBMKNEGOAUNGDW-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
Protein ID: PT00844, Platelet-derived growth factor receptor beta