General Information of the Compound
| Compound ID |
CP0547978
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| Compound Name |
1-[4-[2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-(4-ethylphenyl)urea
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| Structure |
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| Formula |
C29H26ClN5O2
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| Molecular Weight |
512.013
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| Canonical SMILES |
CCc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C29H26ClN5O2/c1-2-19-8-12-22(13-9-19)34-29(36)35-23-14-10-20(11-15-23)16-17-31-27-24-25(30)26(21-6-4-3-5-7-21)37-28(24)33-18-32-27/h3-15,18H,2,16-17H2,1H3,(H,31,32,33)(H2,34,35,36)
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| InChIKey |
MTIWAQLYXOZHBE-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
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01223, Aurora kinase B