General Information of the Compound
| Compound ID |
CP0556165
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| Compound Name |
US9428456, 1.056
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| Structure |
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| Formula |
C25H31FN4O2
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| Molecular Weight |
438.547
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| Canonical SMILES |
Fc1cncc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C25H31FN4O2/c26-21-14-20(15-27-16-21)25(32)29-23-8-4-5-18(13-23)17-30-11-9-19(10-12-30)24(31)28-22-6-2-1-3-7-22/h4-5,8,13-16,19,22H,1-3,6-7,9-12,17H2,(H,28,31)(H,29,32)
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| InChIKey |
SQOWDKGDYAJXSU-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