General Information of the Compound
| Compound ID |
CP0494616
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| Compound Name |
4-[6-Methoxy-7-(3-piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid [2-(4-trifluoromethyl-phenyl)-thiazol-4-ylmethyl]-amide
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| Structure |
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| Formula |
C33H38F3N7O2S2
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| Molecular Weight |
685.842
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1csc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C33H38F3N7O2S2/c1-44-28-18-26-27(19-29(28)45-17-5-12-41-10-3-2-4-11-41)38-22-39-30(26)42-13-15-43(16-14-42)32(46)37-20-25-21-47-31(40-25)23-6-8-24(9-7-23)33(34,35)36/h6-9,18-19,21-22H,2-5,10-17,20H2,1H3,(H,37,46)
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| InChIKey |
ASOIAJVDWJWXOF-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