General Information of the Compound
| Compound ID |
CP0861049
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| Compound Name |
(E)-3-(5-((Z)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl)pyridin-2-yl)acrylic acid
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| Structure |
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| Formula |
C25H21N3O2
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| Molecular Weight |
395.462
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| Canonical SMILES |
CC/C(=C(/c1ccc(/C=C/C(=O)O)nc1)c1ccc2[nH]ncc2c1)c1ccccc1
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| InChI |
InChI=1S/C25H21N3O2/c1-2-22(17-6-4-3-5-7-17)25(18-9-12-23-20(14-18)16-27-28-23)19-8-10-21(26-15-19)11-13-24(29)30/h3-16H,2H2,1H3,(H,27,28)(H,29,30)/b13-11+,25-22-
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| InChIKey |
ARVVPZPVJIHPFU-YSBBDDPKSA-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