General Information of the Compound
| Compound ID |
CP0441722
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| Compound Name |
4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (6-trifluoromethyl-pyridin-3-ylmethyl)-amide
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| Structure |
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| Formula |
C28H34F3N7O3S
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| Molecular Weight |
605.687
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=S)NCc1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C28H34F3N7O3S/c1-39-23-15-21-22(16-24(23)41-12-2-5-36-10-13-40-14-11-36)34-19-35-26(21)37-6-8-38(9-7-37)27(42)33-18-20-3-4-25(32-17-20)28(29,30)31/h3-4,15-17,19H,2,5-14,18H2,1H3,(H,33,42)
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| InChIKey |
OIXITZJTKPFAKB-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