General Information of the Compound
| Compound ID |
CP0013570
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| Compound Name |
US9777008, Compound 49
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| Structure |
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| Formula |
C25H34N2O2
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| Molecular Weight |
394.559
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| Canonical SMILES |
CC(Oc1cccc(CNC2CCCC2)c1)C(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H34N2O2/c1-19(25(28)18-27-14-13-21-8-2-3-9-22(21)17-27)29-24-12-6-7-20(15-24)16-26-23-10-4-5-11-23/h2-3,6-9,12,15,19,23,25-26,28H,4-5,10-11,13-14,16-18H2,1H3
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| InChIKey |
UPDMXWVAFZCNSF-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