General Information of the Compound
| Compound ID |
CP0548457
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| Compound Name |
1-(3-chlorophenyl)-3-[4-[[(7-ethoxy-6-fluoroquinazolin-4-yl)amino]methyl]phenyl]urea
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| Structure |
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| Formula |
C24H21ClFN5O2
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| Molecular Weight |
465.916
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| Canonical SMILES |
CCOc1cc2ncnc(NCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F
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| InChI |
InChI=1S/C24H21ClFN5O2/c1-2-33-22-12-21-19(11-20(22)26)23(29-14-28-21)27-13-15-6-8-17(9-7-15)30-24(32)31-18-5-3-4-16(25)10-18/h3-12,14H,2,13H2,1H3,(H,27,28,29)(H2,30,31,32)
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| InChIKey |
AVURJNXZMDCUCD-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