General Information of the Compound
| Compound ID |
CP0051888
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| Compound Name |
1-(4-(3-amino-7-(2-(dimethylamino)ethoxy)-1H-indazol-4-yl)phenyl)-3-m-tolylurea
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| Structure |
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| Formula |
C25H28N6O2
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| Molecular Weight |
444.539
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| Canonical SMILES |
CN(C)CCOc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)n[nH]c12
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| InChI |
InChI=1S/C25H28N6O2/c1-16-5-4-6-19(15-16)28-25(32)27-18-9-7-17(8-10-18)20-11-12-21(33-14-13-31(2)3)23-22(20)24(26)30-29-23/h4-12,15H,13-14H2,1-3H3,(H3,26,29,30)(H2,27,28,32)
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| InChIKey |
KHIGYHIMVWQYPO-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