General Information of the Compound
| Compound ID |
CP0517672
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| Compound Name |
(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1-methylindazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C27H22ClFN2O2
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| Molecular Weight |
460.936
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2n(C)ncc2c1)c1ccc(F)cc1Cl
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| InChI |
InChI=1S/C27H22ClFN2O2/c1-3-22(23-11-10-21(29)15-24(23)28)27(18-7-4-17(5-8-18)6-13-26(32)33)19-9-12-25-20(14-19)16-30-31(25)2/h4-16H,3H2,1-2H3,(H,32,33)/b13-6+,27-22+
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| InChIKey |
UQXKOQGOAQVMOE-LPOJXSLPSA-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