General Information of the Compound
| Compound ID |
CP0450147
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| Compound Name |
US8853203, 59
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| Structure |
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| Formula |
C22H22N2O4
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| Molecular Weight |
378.428
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| Canonical SMILES |
COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)c(OC)ccc3C2=C1
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| InChI |
InChI=1S/C22H22N2O4/c1-26-15-6-4-5-14(11-15)18-12-19-16-7-8-20(27-2)22(28-3)17(16)9-10-24(19)21(25)13-23-18/h4-8,11-12H,9-10,13H2,1-3H3
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| InChIKey |
ORSMXBJUCUYTCT-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