General Information of the Compound
| Compound ID |
CP0508289
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| Compound Name |
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C22H15F4N5O3S
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| Molecular Weight |
505.453
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| Canonical SMILES |
CSc1cc(Oc2ccnc3[nH]c(=O)cnc23)ccc1NC(=O)Nc1cc(ccc1F)C(F)(F)F
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| InChI |
InChI=1S/C22H15F4N5O3S/c1-35-17-9-12(34-16-6-7-27-20-19(16)28-10-18(32)31-20)3-5-14(17)29-21(33)30-15-8-11(22(24,25)26)2-4-13(15)23/h2-10H,1H3,(H,27,31,32)(H2,29,30,33)
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| InChIKey |
BPAYIIUTFDSNJL-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