General Information of the Compound
| Compound ID |
CP0534684
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| Compound Name |
(E)-3-[4-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-cyclobutyl-1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C31H28ClF3N2O3
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| Molecular Weight |
569.023
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ncc(cc1Cl)C(F)(F)F)\c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C31H28ClF3N2O3/c32-26-18-24(31(33,34)35)19-36-30(26)29(21-2-1-3-21)28(22-7-4-20(5-8-22)6-13-27(38)39)23-9-11-25(12-10-23)37-14-16-40-17-15-37/h4-13,18-19,21H,1-3,14-17H2,(H,38,39)/b13-6+,29-28+
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| InChIKey |
AOILVSCVARXPFJ-APVGTODLSA-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