General Information of the Compound
| Compound ID |
CP0399775
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| Compound Name |
benzyl N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
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| Structure |
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| Formula |
C30H27N7O2
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| Molecular Weight |
517.593
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| Canonical SMILES |
CCc1c(NC(=O)OCc2ccccc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
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| InChI |
InChI=1S/C30H27N7O2/c1-2-25-26(35-30(38)39-19-22-11-7-4-8-12-22)18-37-28(25)29(31-20-33-37)34-24-13-14-27-23(15-24)16-32-36(27)17-21-9-5-3-6-10-21/h3-16,18,20H,2,17,19H2,1H3,(H,35,38)(H,31,33,34)
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| InChIKey |
MHHWMILMVAWLOJ-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