General Information of the Compound
| Compound ID |
CP0455060
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| Compound Name |
2-[1-[(E)-3-[9-(4-methoxyphenyl)fluoren-9-yl]prop-1-enyl]imidazol-4-yl]acetic acid
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| Structure |
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| Formula |
C28H24N2O3
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| Molecular Weight |
436.511
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| Canonical SMILES |
COc1ccc(cc1)C1(C\C=C\n2cnc(CC(O)=O)c2)c2ccccc2-c2ccccc12
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| InChI |
InChI=1S/C28H24N2O3/c1-33-22-13-11-20(12-14-22)28(15-6-16-30-18-21(29-19-30)17-27(31)32)25-9-4-2-7-23(25)24-8-3-5-10-26(24)28/h2-14,16,18-19H,15,17H2,1H3,(H,31,32)/b16-6+
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| InChIKey |
KSEXXLKYOXJNSJ-OMCISZLKSA-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
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3