General Information of the Compound
| Compound ID |
CP0007009
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| Compound Name |
US9745291, Compound 81
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| Structure |
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| Formula |
C23H29N3O4
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| Molecular Weight |
411.502
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| Canonical SMILES |
CN1CCOc2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12
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| InChI |
InChI=1S/C23H29N3O4/c1-25-11-12-29-20-7-4-8-21(23(20)25)30-16-22(28)24-13-19(27)15-26-10-9-17-5-2-3-6-18(17)14-26/h2-8,19,27H,9-16H2,1H3,(H,24,28)
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| InChIKey |
GYRHDNTZFGYPMR-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