General Information of the Compound
| Compound ID |
CP0777127
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| Compound Name |
ethyl 2-amino-6-phenyl-4-(1-cyano-2-ethoxy-2-oxoethyl)-4Hchromene-3-carboxylate
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| Structure |
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| Formula |
C23H22N2O5
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| Molecular Weight |
406.438
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| Canonical SMILES |
CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1C(C#N)C(=O)OCC
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| InChI |
InChI=1S/C23H22N2O5/c1-3-28-22(26)17(13-24)19-16-12-15(14-8-6-5-7-9-14)10-11-18(16)30-21(25)20(19)23(27)29-4-2/h5-12,17,19H,3-4,25H2,1-2H3
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| InChIKey |
BVRLTSITWMBXTQ-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: PT01216, Apoptosis regulator Bcl-2
Protein ID: PT01217, Bcl-2-like protein 1