General Information of the Compound
| Compound ID |
CP0457859
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| Compound Name |
1-[4-[2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]urea
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| Structure |
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| Formula |
C33H33ClN6O3
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| Molecular Weight |
597.119
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| Canonical SMILES |
OC1CCN(Cc2ccccc2NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)CC1
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| InChI |
InChI=1S/C33H33ClN6O3/c34-29-28-31(36-21-37-32(28)43-30(29)23-6-2-1-3-7-23)35-17-14-22-10-12-25(13-11-22)38-33(42)39-27-9-5-4-8-24(27)20-40-18-15-26(41)16-19-40/h1-13,21,26,41H,14-20H2,(H,35,36,37)(H2,38,39,42)
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| InChIKey |
WVLFHLOAIDRNCV-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