General Information of the Compound
| Compound ID |
CP0163869
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| Compound Name |
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-4,6-diamine
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| Formula |
C26H22FN7O
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| Molecular Weight |
467.508
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| Canonical SMILES |
COc1ccc(cc1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
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| InChI |
InChI=1S/C26H22FN7O/c1-35-22-8-5-20(6-9-22)29-14-23-25(28)30-16-31-26(23)33-21-7-10-24-18(12-21)13-32-34(24)15-17-3-2-4-19(27)11-17/h2-14,16H,15H2,1H3,(H3,28,30,31,33)/b29-14+
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| InChIKey |
DRLWGTWSWZETCV-IPPBACCNSA-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