General Information of the Compound
| Compound ID |
CP0372457
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| Compound Name |
3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-{4-[(2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1H-1,3-benzodiazol-6-yl)oxy]phenyl}urea
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| Structure |
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| Formula |
C28H29F4N7O2
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| Molecular Weight |
571.579
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| Canonical SMILES |
CN1CCN(CCNc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1
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| InChI |
InChI=1S/C28H29F4N7O2/c1-38-12-14-39(15-13-38)11-10-33-26-35-23-9-7-21(17-25(23)36-26)41-20-5-3-19(4-6-20)34-27(40)37-24-16-18(28(30,31)32)2-8-22(24)29/h2-9,16-17H,10-15H2,1H3,(H2,33,35,36)(H2,34,37,40)
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| InChIKey |
UPGBUHOFLSJEEI-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