General Information of the Compound
| Compound ID |
CP0482156
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| Compound Name |
1-[4-[2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(diethylaminomethyl)phenyl]urea
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| Structure |
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| Formula |
C32H33ClN6O2
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| Molecular Weight |
569.109
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| Canonical SMILES |
CCN(CC)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1
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| InChI |
InChI=1S/C32H33ClN6O2/c1-3-39(4-2)20-23-9-8-12-26(19-23)38-32(40)37-25-15-13-22(14-16-25)17-18-34-30-27-28(33)29(24-10-6-5-7-11-24)41-31(27)36-21-35-30/h5-16,19,21H,3-4,17-18,20H2,1-2H3,(H,34,35,36)(H2,37,38,40)
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| InChIKey |
AHUJBJSHCSTRQK-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