General Information of the Compound
| Compound ID |
CP0107761
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| Compound Name |
1-[4-[2-[[6-[4-[2-(dibutylamino)ethoxy]phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C37H44N6O3
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| Molecular Weight |
620.798
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| Canonical SMILES |
CCCCN(CCCC)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
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| InChI |
InChI=1S/C37H44N6O3/c1-3-5-22-43(23-6-4-2)24-25-45-32-18-14-29(15-19-32)34-26-33-35(39-27-40-36(33)46-34)38-21-20-28-12-16-31(17-13-28)42-37(44)41-30-10-8-7-9-11-30/h7-19,26-27H,3-6,20-25H2,1-2H3,(H,38,39,40)(H2,41,42,44)
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| InChIKey |
QTUXGVCSDKAGGZ-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