General Information of the Compound
| Compound ID |
CP0849187
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| Compound Name |
2-amino-4-(4-(2-chloro-6-fluorobenzyloxy)-3-methoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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| Structure |
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| Formula |
C30H24ClFN2O4
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| Molecular Weight |
530.983
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| Canonical SMILES |
COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CC(c2ccccc2)C3)ccc1OCc1c(F)cccc1Cl
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| InChI |
InChI=1S/C30H24ClFN2O4/c1-36-26-13-18(10-11-25(26)37-16-21-22(31)8-5-9-23(21)32)28-20(15-33)30(34)38-27-14-19(12-24(35)29(27)28)17-6-3-2-4-7-17/h2-11,13,19,28H,12,14,16,34H2,1H3
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| InChIKey |
TXIMXXRGVHGWDT-UHFFFAOYSA-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: PT03541, Excitatory amino acid transporter 2
Protein ID: PT03879, Excitatory amino acid transporter 3