General Information of the Compound
| Compound ID |
CP0012863
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| Compound Name |
US9745291, Compound 83
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| Structure |
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| Formula |
C25H31N3O5
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| Molecular Weight |
453.539
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| Canonical SMILES |
OC(CNC(=O)COc1cccc(c1)C(=O)N1CCOCC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H31N3O5/c29-22(17-27-9-8-19-4-1-2-5-21(19)16-27)15-26-24(30)18-33-23-7-3-6-20(14-23)25(31)28-10-12-32-13-11-28/h1-7,14,22,29H,8-13,15-18H2,(H,26,30)
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| InChIKey |
VCBCXDCVFJZGTB-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