General Information of the Compound
| Compound ID |
CP0423334
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| Compound Name |
US9012651, 236
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| Structure |
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| Formula |
C20H29FN2O
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| Molecular Weight |
332.463
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)C#CCC1CCCCC1
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| InChI |
InChI=1S/C20H29FN2O/c1-15(2)20(14-24)22-13-19-18(21)12-11-17(23-19)10-6-9-16-7-4-3-5-8-16/h11-12,15-16,20,22,24H,3-5,7-9,13-14H2,1-2H3/t20-/m0/s1
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| InChIKey |
DZRDOXWOLSTWIH-FQEVSTJZSA-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