General Information of the Compound
| Compound ID |
CP0224407
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| Compound Name |
1-[4-[2-[[6-[4-[3-(dimethylamino)propoxy]phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C32H34N6O3
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| Molecular Weight |
550.663
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| Canonical SMILES |
CN(C)CCCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
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| InChI |
InChI=1S/C32H34N6O3/c1-38(2)19-6-20-40-27-15-11-24(12-16-27)29-21-28-30(34-22-35-31(28)41-29)33-18-17-23-9-13-26(14-10-23)37-32(39)36-25-7-4-3-5-8-25/h3-5,7-16,21-22H,6,17-20H2,1-2H3,(H,33,34,35)(H2,36,37,39)
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| InChIKey |
AWSFTVYABIVKMR-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