General Information of the Compound
| Compound ID |
CP0420834
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| Compound Name |
1-(3-tert- butyl-1- methyl-1H- pyrazol-5- yl)-3-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl) urea
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| Structure |
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| Formula |
C25H28N6O4
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| Molecular Weight |
476.537
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| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4C)C(C)(C)C)c3)c2cc1OC
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| InChI |
InChI=1S/C25H28N6O4/c1-25(2,3)21-13-22(31(4)30-21)29-24(32)28-15-8-7-9-16(10-15)35-23-17-11-19(33-5)20(34-6)12-18(17)26-14-27-23/h7-14H,1-6H3,(H2,28,29,32)
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| InChIKey |
PKTRVWCEEGNMJB-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