General Information of the Compound
| Compound ID |
CP0518621
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| Compound Name |
US9206173, 2475
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| Structure |
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| Formula |
C26H24ClF3N4O3
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| Molecular Weight |
532.95
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| Canonical SMILES |
COn1c(nc2CCN(Cc2c1=O)C(=O)c1ccc(Cl)cc1)N1CCCC1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H24ClF3N4O3/c1-37-34-24(36)20-15-32(23(35)17-6-10-19(27)11-7-17)14-12-21(20)31-25(34)33-13-2-3-22(33)16-4-8-18(9-5-16)26(28,29)30/h4-11,22H,2-3,12-15H2,1H3
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| InChIKey |
LNQGWRYOWDRACP-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