General Information of the Compound
| Compound ID |
CP0455053
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| Compound Name |
1-(4-(2-acetamidobenzo[d]thiazol-4-yloxy)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C26H22F3N5O4S
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| Molecular Weight |
557.554
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(nc(n3)N3CCC(CC3)C(O)=O)-c3ccc(cc3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C26H22F3N5O4S/c1-14(35)30-25-33-22-19(3-2-4-20(22)39-25)38-21-13-18(15-5-7-17(8-6-15)26(27,28)29)31-24(32-21)34-11-9-16(10-12-34)23(36)37/h2-8,13,16H,9-12H2,1H3,(H,36,37)(H,30,33,35)
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| InChIKey |
MJYMGQJLWSXFQV-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