General Information of the Compound
| Compound ID |
CP0432163
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| Compound Name |
1-[4-[2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C27H22ClN5O2
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| Molecular Weight |
483.959
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| Canonical SMILES |
Clc1c(oc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c12)-c1ccccc1
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| InChI |
InChI=1S/C27H22ClN5O2/c28-23-22-25(30-17-31-26(22)35-24(23)19-7-3-1-4-8-19)29-16-15-18-11-13-21(14-12-18)33-27(34)32-20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,29,30,31)(H2,32,33,34)
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| InChIKey |
HLESTJFKZRMHRR-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