General Information of the Compound
| Compound ID |
CP0486378
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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-trifluoromethyl-pyridin-3-ylmethyl)-amide
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| Structure |
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| Formula |
C28H33ClF3N7O2S
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| Molecular Weight |
624.133
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(nc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C28H33ClF3N7O2S/c1-40-22-15-20-21(16-23(22)41-14-13-37-7-3-2-4-8-37)34-18-35-26(20)38-9-11-39(12-10-38)27(42)33-17-19-5-6-24(28(30,31)32)36-25(19)29/h5-6,15-16,18H,2-4,7-14,17H2,1H3,(H,33,42)
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| InChIKey |
YWKRGKNSXABVSP-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