General Information of the Compound
| Compound ID |
CP0091097
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| Compound Name |
1-[4-[2-[[6-[3-[2-(dimethylamino)ethoxy]phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C31H32N6O3
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| Molecular Weight |
536.636
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| Canonical SMILES |
CN(C)CCOc1cccc(c1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
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| InChI |
InChI=1S/C31H32N6O3/c1-37(2)17-18-39-26-10-6-7-23(19-26)28-20-27-29(33-21-34-30(27)40-28)32-16-15-22-11-13-25(14-12-22)36-31(38)35-24-8-4-3-5-9-24/h3-14,19-21H,15-18H2,1-2H3,(H,32,33,34)(H2,35,36,38)
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| InChIKey |
VQLNOPOZCKAEHI-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