General Information of the Compound
| Compound ID |
CP0484062
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| Compound Name |
(E)-3-[4-[(E)-2-cyclobutyl-2-phenyl-1-[4-(1H-pyrazol-4-yl)phenyl]ethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C30H26N2O2
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| Molecular Weight |
446.55
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccccc1)\c1ccc(cc1)-c1cn[nH]c1
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| InChI |
InChI=1S/C30H26N2O2/c33-28(34)18-11-21-9-12-25(13-10-21)30(26-16-14-22(15-17-26)27-19-31-32-20-27)29(24-7-4-8-24)23-5-2-1-3-6-23/h1-3,5-6,9-20,24H,4,7-8H2,(H,31,32)(H,33,34)/b18-11+,30-29-
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| InChIKey |
XNLMDOSANHWAGK-GLDINAPMSA-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