General Information of the Compound
| Compound ID |
CP0526405
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| Compound Name |
US9012651, 200
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| Structure |
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| Formula |
C18H29FN2O
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| Molecular Weight |
308.441
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)C1CCC(C)CC1
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| InChI |
InChI=1S/C18H29FN2O/c1-12(2)18(11-22)20-10-17-15(19)8-9-16(21-17)14-6-4-13(3)5-7-14/h8-9,12-14,18,20,22H,4-7,10-11H2,1-3H3/t13?,14?,18-/m0/s1
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| InChIKey |
DGLHOTKPGYROGU-JRSKDTKFSA-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