General Information of the Compound
| Compound ID |
CP0954580
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| Compound Name |
US8993765, 7
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| Structure |
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| Formula |
C23H20F3N5O2
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| Molecular Weight |
455.44
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| Canonical SMILES |
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)nc31)CNCC2
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| InChI |
InChI=1S/C23H20F3N5O2/c1-30-18-6-8-27-12-17(18)16-3-5-20(29-22(16)30)31-9-7-15(10-21(31)32)33-13-14-2-4-19(28-11-14)23(24,25)26/h2-5,7,9-11,27H,6,8,12-13H2,1H3
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| InChIKey |
UQXPCNCHNUULHN-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