General Information of the Compound
| Compound ID |
CP0423178
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| Compound Name |
3-N-[4-(4-cyclohexylpiperazin-1-yl)-3-fluorophenyl]-1-(6,7-dimethoxyquinazolin-4-yl)-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C28H34FN9O2
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| Molecular Weight |
547.639
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(Nc4ccc(N5CCN(CC5)C5CCCCC5)c(F)c4)nc3N)c2cc1OC
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| InChI |
InChI=1S/C28H34FN9O2/c1-39-24-15-20-22(16-25(24)40-2)31-17-32-26(20)38-27(30)34-28(35-38)33-18-8-9-23(21(29)14-18)37-12-10-36(11-13-37)19-6-4-3-5-7-19/h8-9,14-17,19H,3-7,10-13H2,1-2H3,(H3,30,33,34,35)
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| InChIKey |
MHPFETJQFDJJNG-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: PT01101, Insulin receptor
Protein ID: PT01128, Tyrosine-protein kinase receptor UFO