General Information of the Compound
| Compound ID |
CP0500120
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| Compound Name |
US8637501, 82
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| Structure |
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| Formula |
C22H21FN6O2
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| Molecular Weight |
420.448
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| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(nc12)-n1ncc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C22H21FN6O2/c1-28-19-7-9-24-8-6-17(19)18-4-5-20(27-22(18)28)29-21(30)10-16(12-26-29)31-13-15-3-2-14(23)11-25-15/h2-5,10-12,24H,6-9,13H2,1H3
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| InChIKey |
DVCFUUNKUKLGFE-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