General Information of the Compound
| Compound ID |
CP0888229
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| Compound Name |
US8993765, 4
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| Structure |
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| Formula |
C22H20FN5O2
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| Molecular Weight |
405.433
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| Canonical SMILES |
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CNCC2
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| InChI |
InChI=1S/C22H20FN5O2/c1-27-19-6-8-24-12-18(19)17-4-5-20(26-22(17)27)28-9-7-16(10-21(28)29)30-13-15-3-2-14(23)11-25-15/h2-5,7,9-11,24H,6,8,12-13H2,1H3
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| InChIKey |
AGRIAQVLAMRADL-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