General Information of the Compound
| Compound ID |
CP0240528
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| Compound Name |
1-[4-[2-[[6-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C33H36N6O4
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| Molecular Weight |
580.689
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| Canonical SMILES |
CCN(CCO)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1
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| InChI |
InChI=1S/C33H36N6O4/c1-2-39(18-20-40)19-21-42-28-14-10-25(11-15-28)30-22-29-31(35-23-36-32(29)43-30)34-17-16-24-8-12-27(13-9-24)38-33(41)37-26-6-4-3-5-7-26/h3-15,22-23,40H,2,16-21H2,1H3,(H,34,35,36)(H2,37,38,41)
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| InChIKey |
MGYRISCZOPEGNR-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