General Information of the Compound
| Compound ID |
CP0054719
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| Compound Name |
1-phenyl-3-[4-[2-[[6-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]urea
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| Structure |
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| Formula |
C34H36N6O3
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| Molecular Weight |
576.701
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCCCC3)cc2)cc1
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| InChI |
InChI=1S/C34H36N6O3/c41-34(38-27-7-3-1-4-8-27)39-28-13-9-25(10-14-28)17-18-35-32-30-23-31(43-33(30)37-24-36-32)26-11-15-29(16-12-26)42-22-21-40-19-5-2-6-20-40/h1,3-4,7-16,23-24H,2,5-6,17-22H2,(H,35,36,37)(H2,38,39,41)
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| InChIKey |
IVIDJNDYMLDNQO-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