General Information of the Compound
| Compound ID |
CP0007533
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| Compound Name |
US9745291, Compound 29
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| Structure |
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| Formula |
C21H25N3O4
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| Molecular Weight |
383.448
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| Canonical SMILES |
NC(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H25N3O4/c22-21(27)18-7-3-4-8-19(18)28-14-20(26)23-11-17(25)13-24-10-9-15-5-1-2-6-16(15)12-24/h1-8,17,25H,9-14H2,(H2,22,27)(H,23,26)
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| InChIKey |
YKDNQGGKUMMYTM-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