General Information of the Compound
Compound ID |
CP0410193
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Compound Name |
1-(3-tert-butyl- 1-isobutyl- 1H-pyrazol- 5-yl)-3-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl) urea
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Structure |
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Formula |
C28H34N6O4
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Molecular Weight |
518.618
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Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4CC(C)C)C(C)(C)C)c3)c2cc1OC
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InChI |
InChI=1S/C28H34N6O4/c1-17(2)15-34-25(14-24(33-34)28(3,4)5)32-27(35)31-18-9-8-10-19(11-18)38-26-20-12-22(36-6)23(37-7)13-21(20)29-16-30-26/h8-14,16-17H,15H2,1-7H3,(H2,31,32,35)
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InChIKey |
VCWAPASQOFBPCX-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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