General Information of the Compound
| Compound ID |
CP0510606
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| Compound Name |
N-[4-[2-piperidin-1-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 |
C25H22F3N5O2S
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| Molecular Weight |
513.545
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(nc(n3)N3CCCCC3)-c3ccc(cc3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C25H22F3N5O2S/c1-15(34)29-24-32-22-19(6-5-7-20(22)36-24)35-21-14-18(16-8-10-17(11-9-16)25(26,27)28)30-23(31-21)33-12-3-2-4-13-33/h5-11,14H,2-4,12-13H2,1H3,(H,29,32,34)
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| InChIKey |
SRHMEQPBUCAEBZ-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