General Information of the Compound
| Compound ID |
CP0408691
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| Compound Name |
N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
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| Structure |
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| Formula |
C29H26F4N4O4
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| Molecular Weight |
570.543
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(O)(CC1)c1cccc(F)c1
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| InChI |
InChI=1S/C29H26F4N4O4/c1-18-24-16-21(35-26(38)17-40-22-6-8-23(9-7-22)41-29(31,32)33)5-10-25(24)36-27(34-18)37-13-11-28(39,12-14-37)19-3-2-4-20(30)15-19/h2-10,15-16,39H,11-14,17H2,1H3,(H,35,38)
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| InChIKey |
MFBIXPUCLVRBKR-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