General Information of the Compound
| Compound ID |
CP0451352
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| Compound Name |
US9493412, 34
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| Structure |
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| Formula |
C21H22N2O4
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| Molecular Weight |
366.417
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| Canonical SMILES |
CN1CC(C(=O)NCc2ccc(Oc3ccc(C)cc3C)cc2)=C(O)C1=O
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| InChI |
InChI=1S/C21H22N2O4/c1-13-4-9-18(14(2)10-13)27-16-7-5-15(6-8-16)11-22-20(25)17-12-23(3)21(26)19(17)24/h4-10,24H,11-12H2,1-3H3,(H,22,25)
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| InChIKey |
IHQBEIGRJGKKMQ-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