General Information of the Compound
| Compound ID |
CP0567447
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| Compound Name |
(E)-3-[4-[(E)-1-(1,3-benzothiazol-5-yl)-2-(4-chloro-2-cyanophenyl)-2-cyclobutylethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C29H21ClN2O2S
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| Molecular Weight |
497.019
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(Cl)cc1C#N)\c1ccc2scnc2c1
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| InChI |
InChI=1S/C29H21ClN2O2S/c30-23-10-11-24(22(14-23)16-31)29(19-2-1-3-19)28(21-9-12-26-25(15-21)32-17-35-26)20-7-4-18(5-8-20)6-13-27(33)34/h4-15,17,19H,1-3H2,(H,33,34)/b13-6+,29-28+
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| InChIKey |
NYWIZMDQOQONOS-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