General Information of the Compound
| Compound ID |
CP0410763
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| Compound Name |
N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C25H27F3N4O4
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| Molecular Weight |
504.509
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| Canonical SMILES |
CCC1(O)CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C25H27F3N4O4/c1-3-24(34)10-12-32(13-11-24)23-29-16(2)20-14-17(4-9-21(20)31-23)30-22(33)15-35-18-5-7-19(8-6-18)36-25(26,27)28/h4-9,14,34H,3,10-13,15H2,1-2H3,(H,30,33)
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| InChIKey |
DOOFTVIGMHIZKY-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