General Information of the Compound
| Compound ID |
CP0525254
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| Compound Name |
US9303045, 84
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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)c1c2OCCCCn2c2ccccc12
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| InChI |
InChI=1S/C21H26N2O3/c1-22-14-8-9-15(22)13-16(12-14)26-21(24)19-17-6-2-3-7-18(17)23-10-4-5-11-25-20(19)23/h2-3,6-7,14-16H,4-5,8-13H2,1H3
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| InChIKey |
FYDJXYVJYSPVHB-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