General Information of the Compound
| Compound ID |
CP0454341
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| Compound Name |
N-[4-[2-morpholin-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 |
C24H20F3N5O3S
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| Molecular Weight |
515.517
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(nc(n3)N3CCOCC3)-c3ccc(cc3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C24H20F3N5O3S/c1-14(33)28-23-31-21-18(3-2-4-19(21)36-23)35-20-13-17(15-5-7-16(8-6-15)24(25,26)27)29-22(30-20)32-9-11-34-12-10-32/h2-8,13H,9-12H2,1H3,(H,28,31,33)
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| InChIKey |
VAWUOLRAMVUCQU-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