General Information of the Compound
| Compound ID |
CP0549407
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| Compound Name |
US9409917, 54
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| Structure |
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
O=C(NCC1(CCCCC1)c1ccccc1)C1CCOc2ncccc12
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| InChI |
InChI=1S/C22H26N2O2/c25-20(18-11-15-26-21-19(18)10-7-14-23-21)24-16-22(12-5-2-6-13-22)17-8-3-1-4-9-17/h1,3-4,7-10,14,18H,2,5-6,11-13,15-16H2,(H,24,25)
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| InChIKey |
LGKRSTOHNCFTGP-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