General Information of the Compound
| Compound ID |
CP0492534
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| Compound Name |
US8637501, 111
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| Structure |
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| Formula |
C23H21F2N5O2
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| Molecular Weight |
437.45
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| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(nc12)-n1ccc(OCc2ncc(F)cc2F)cc1=O
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| InChI |
InChI=1S/C23H21F2N5O2/c1-29-20-5-8-26-7-4-16(20)17-2-3-21(28-23(17)29)30-9-6-15(11-22(30)31)32-13-19-18(25)10-14(24)12-27-19/h2-3,6,9-12,26H,4-5,7-8,13H2,1H3
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| InChIKey |
CWIKMAXXNBJOFA-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