General Information of the Compound
| Compound ID |
CP0435329
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| Compound Name |
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (6-trifluoromethyl-pyridin-3-ylmethyl)-amide
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| Structure |
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| Formula |
C28H34F3N7O2S
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| Molecular Weight |
589.688
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C28H34F3N7O2S/c1-39-23-15-21-22(16-24(23)40-14-13-36-7-3-2-4-8-36)34-19-35-26(21)37-9-11-38(12-10-37)27(41)33-18-20-5-6-25(32-17-20)28(29,30)31/h5-6,15-17,19H,2-4,7-14,18H2,1H3,(H,33,41)
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| InChIKey |
KMPKNQLUSHGOEZ-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