General Information of the Compound
| Compound ID |
CP0845884
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| Compound Name |
2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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| Structure |
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| Formula |
C24H19N3O2
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| Molecular Weight |
381.435
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| Canonical SMILES |
N#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C24H19N3O2/c25-12-17-22(18-13-27-19-9-5-4-8-16(18)19)23-20(28)10-15(11-21(23)29-24(17)26)14-6-2-1-3-7-14/h1-9,13,15,22,27H,10-11,26H2
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| InChIKey |
WDWSRUMPOOAPMB-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: PT04012, Excitatory amino acid transporter 1
Protein ID: PT03541, Excitatory amino acid transporter 2
Protein ID: PT03879, Excitatory amino acid transporter 3