General Information of the Compound
| Compound ID |
CP0425154
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| Compound Name |
4-[6-Methoxy-7-(3-piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (5-methyl-furan-2-ylmethyl)-amide
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| Structure |
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| Formula |
C28H38N6O3S
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| Molecular Weight |
538.718
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(C)o1
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| InChI |
InChI=1S/C28H38N6O3S/c1-21-7-8-22(37-21)19-29-28(38)34-14-12-33(13-15-34)27-23-17-25(35-2)26(18-24(23)30-20-31-27)36-16-6-11-32-9-4-3-5-10-32/h7-8,17-18,20H,3-6,9-16,19H2,1-2H3,(H,29,38)
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| InChIKey |
OAPAVRKVRIDCGV-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