General Information of the Compound
| Compound ID |
CP0163871
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| Compound Name |
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-morpholin-4-yliminomethyl]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C23H23FN8O
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| Molecular Weight |
446.49
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| Canonical SMILES |
Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCOCC1
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| InChI |
InChI=1S/C23H23FN8O/c24-18-3-1-2-16(10-18)14-32-21-5-4-19(11-17(21)12-29-32)30-23-20(22(25)26-15-27-23)13-28-31-6-8-33-9-7-31/h1-5,10-13,15H,6-9,14H2,(H3,25,26,27,30)/b28-13+
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| InChIKey |
LTZADKANMDZUFP-XODNFHPESA-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
Cell Viability or Cytotoxicity Assay