General Information of the Compound
| Compound ID |
CP0416086
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| Compound Name |
1-(3- cyclopentyl- isoxazol- 5-yl)- 3-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl) urea
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| Structure |
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| Formula |
C25H25N5O5
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| Molecular Weight |
475.505
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C4CCCC4)c3)c2cc1OC
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| InChI |
InChI=1S/C25H25N5O5/c1-32-21-11-18-20(12-22(21)33-2)26-14-27-24(18)34-17-9-5-8-16(10-17)28-25(31)29-23-13-19(30-35-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(H2,28,29,31)
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| InChIKey |
BZQXAZQNWLIEIY-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