General Information of the Compound
| Compound ID |
CP0550967
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| Compound Name |
US8618299, 54
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| Structure |
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| Formula |
C26H24ClFN4O2
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| Molecular Weight |
478.955
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| Canonical SMILES |
Cn1c2CC3CCCN3Cc2c2ccc(nc12)-n1ccc(OCc2ccc(Cl)cc2F)cc1=O
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| InChI |
InChI=1S/C26H24ClFN4O2/c1-30-23-12-18-3-2-9-31(18)14-21(23)20-6-7-24(29-26(20)30)32-10-8-19(13-25(32)33)34-15-16-4-5-17(27)11-22(16)28/h4-8,10-11,13,18H,2-3,9,12,14-15H2,1H3
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| InChIKey |
VCPICRIDWUJKEP-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