General Information of the Compound
| Compound ID |
CP0845882
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| Compound Name |
2-amino-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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| Structure |
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| Formula |
C22H17N3O4
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| Molecular Weight |
387.395
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| Canonical SMILES |
N#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C22H17N3O4/c23-12-17-20(14-6-8-16(9-7-14)25(27)28)21-18(26)10-15(11-19(21)29-22(17)24)13-4-2-1-3-5-13/h1-9,15,20H,10-11,24H2
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| InChIKey |
WOGBCQGCWMTUEA-UHFFFAOYSA-N
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| CAS |
5275-37-6
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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