General Information of the Compound
| Compound ID |
CP0522373
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| Compound Name |
N-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C29H30F3N5O2S
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| Molecular Weight |
569.653
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| Canonical SMILES |
CC(C)CN1CCC(CC1)c1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H30F3N5O2S/c1-17(2)16-37-13-11-20(12-14-37)27-34-22(19-7-9-21(10-8-19)29(30,31)32)15-25(35-27)39-23-5-4-6-24-26(23)36-28(40-24)33-18(3)38/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,33,36,38)
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| InChIKey |
YDGNVGIUDZRDSY-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