General Information of the Compound
| Compound ID |
CP0499901
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| Compound Name |
1-[1-(2-Isobutylamino-ethyl)-1H-indazol-5-yl]-3-(4-phenoxy-phenyl)-urea
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| Structure |
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| Formula |
C26H29N5O2
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| Molecular Weight |
443.551
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| Canonical SMILES |
CC(C)CNCCn1ncc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc12
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| InChI |
InChI=1S/C26H29N5O2/c1-19(2)17-27-14-15-31-25-13-10-22(16-20(25)18-28-31)30-26(32)29-21-8-11-24(12-9-21)33-23-6-4-3-5-7-23/h3-13,16,18-19,27H,14-15,17H2,1-2H3,(H2,29,30,32)
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| InChIKey |
SXUROQLTGFUQFZ-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