General Information of the Compound
| Compound ID |
CP0422406
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| Compound Name |
US9303045, 83
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| Structure |
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| Formula |
C21H26N2O3
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| Molecular Weight |
354.45
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| Canonical SMILES |
CN1C2CCC1CC(C2)OC(=O)c1cn([C@@H]2CCOC2)c2ccccc12
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| InChI |
InChI=1S/C21H26N2O3/c1-22-14-6-7-15(22)11-17(10-14)26-21(24)19-12-23(16-8-9-25-13-16)20-5-3-2-4-18(19)20/h2-5,12,14-17H,6-11,13H2,1H3/t14?,15?,16-,17?/m1/s1
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| InChIKey |
YECORENGOXWWDS-ONNPGMOUSA-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