General Information of the Compound
| Compound ID |
CP0483695
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| Compound Name |
ethyl 5-benzyl-4-[(1-benzylindazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
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| Structure |
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| Formula |
C30H26N6O2
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| Molecular Weight |
502.578
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| Canonical SMILES |
CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1Cc1ccccc1
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| InChI |
InChI=1S/C30H26N6O2/c1-2-38-30(37)26-19-36-28(25(26)15-21-9-5-3-6-10-21)29(31-20-33-36)34-24-13-14-27-23(16-24)17-32-35(27)18-22-11-7-4-8-12-22/h3-14,16-17,19-20H,2,15,18H2,1H3,(H,31,33,34)
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| InChIKey |
MVZAPDAYTFZUSI-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2