General Information of the Compound
| Compound ID |
CP0656008
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| Compound Name |
ethyl 2-amino-6-n-propyl-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
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| Structure |
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| Formula |
C20H24N2O5
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| Molecular Weight |
372.421
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| Canonical SMILES |
CCCc1ccc2c(c1)C(C(C#N)C(=O)OCC)C(C(=O)OCC)=C(N)O2
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| InChI |
InChI=1S/C20H24N2O5/c1-4-7-12-8-9-15-13(10-12)16(14(11-21)19(23)25-5-2)17(18(22)27-15)20(24)26-6-3/h8-10,14,16H,4-7,22H2,1-3H3
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| InChIKey |
PILQZIAJJPUYDZ-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000001 | Jurkat | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 5200 nM
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