General Information of the Compound
| Compound ID |
CP0010560
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| Compound Name |
US9745291, Compound 19
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| Structure |
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| Formula |
C21H26N2O3
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| Molecular Weight |
354.45
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| Canonical SMILES |
CC(Oc1ccccc1)C(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H26N2O3/c1-16(26-20-9-3-2-4-10-20)21(25)22-13-19(24)15-23-12-11-17-7-5-6-8-18(17)14-23/h2-10,16,19,24H,11-15H2,1H3,(H,22,25)
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| InChIKey |
WBVVJINBZYMVKR-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