General Information of the Compound
| Compound ID |
CP0559720
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| Compound Name |
US9206173, 2450
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| Structure |
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| Formula |
C25H23Cl2F3N4O3
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| Molecular Weight |
555.384
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| Canonical SMILES |
COn1c(NC(CCC(F)(F)F)c2ccc(Cl)cc2)nc2CCN(Cc2c1=O)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H23Cl2F3N4O3/c1-37-34-23(36)19-14-33(22(35)16-4-8-18(27)9-5-16)13-11-21(19)32-24(34)31-20(10-12-25(28,29)30)15-2-6-17(26)7-3-15/h2-9,20H,10-14H2,1H3,(H,31,32)
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| InChIKey |
TXIZILNRJXXABT-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