General Information of the Compound
| Compound ID |
CP0002043
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| Compound Name |
US9777008, Compound 53
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| Structure |
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| Formula |
C25H35N3O
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| Molecular Weight |
393.575
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| Canonical SMILES |
CN(CC(O)CN1CCc2ccccc2C1)c1cccc(CNC2CCCC2)c1
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| InChI |
InChI=1S/C25H35N3O/c1-27(24-12-6-7-20(15-24)16-26-23-10-4-5-11-23)18-25(29)19-28-14-13-21-8-2-3-9-22(21)17-28/h2-3,6-9,12,15,23,25-26,29H,4-5,10-11,13-14,16-19H2,1H3
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| InChIKey |
VWUSPZLNYPXLTI-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