General Information of the Compound
| Compound ID |
CP0492883
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| Compound Name |
2-methyl-N-[4-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]propanamide
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| Structure |
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| Formula |
C22H17F3N4O2S
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| Molecular Weight |
458.465
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| Canonical SMILES |
CC(C)C(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C22H17F3N4O2S/c1-12(2)20(30)29-21-28-19-16(4-3-5-17(19)32-21)31-18-10-15(26-11-27-18)13-6-8-14(9-7-13)22(23,24)25/h3-12H,1-2H3,(H,28,29,30)
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| InChIKey |
DSLVKDCMNYUHBN-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