General Information of the Compound
| Compound ID |
CP0656007
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| Compound Name |
ethyl 2-amino-6-(4-tert-butylphenyl)-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
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| Structure |
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| Formula |
C27H30N2O5
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| Molecular Weight |
462.546
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| Canonical SMILES |
CCOC(=O)C1=C(N)Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2C1C(C#N)C(=O)OCC
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| InChI |
InChI=1S/C27H30N2O5/c1-6-32-25(30)20(15-28)22-19-14-17(16-8-11-18(12-9-16)27(3,4)5)10-13-21(19)34-24(29)23(22)26(31)33-7-2/h8-14,20,22H,6-7,29H2,1-5H3
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| InChIKey |
YPAREPRLKQASKG-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 | |
| CL000145 | NCI-H460 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 160 nM
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