General Information of the Compound
| Compound ID |
CP0553853
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| Compound Name |
US8637501, 13
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| Structure |
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| Formula |
C23H21FN4O2
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| Molecular Weight |
404.445
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| Canonical SMILES |
Fc1ccc(COc2ccn(-c3ccc4c5CCNCCc5[nH]c4c3)c(=O)c2)nc1
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| InChI |
InChI=1S/C23H21FN4O2/c24-15-1-2-16(26-13-15)14-30-18-7-10-28(23(29)12-18)17-3-4-19-20-5-8-25-9-6-21(20)27-22(19)11-17/h1-4,7,10-13,25,27H,5-6,8-9,14H2
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| InChIKey |
LVEBSAZEYLPLME-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