General Information of the Compound
| Compound ID |
CP0216821
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| Compound Name |
US8614253, 32-4
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| Synonyms |
BDBM111368
CHEMBL3665053
SCHEMBL12674916
US8614253, 32-4
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| Structure |
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| Formula |
C21H19NO3
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| Molecular Weight |
333.387
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| Canonical SMILES |
CC(C)NC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1
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| InChI |
InChI=1S/C21H19NO3/c1-13(2)22-21(25)17-5-3-4-14(11-17)15-6-8-18-16(10-15)7-9-20(24)19(18)12-23/h3-13,24H,1-2H3,(H,22,25)
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| InChIKey |
LCESLTUVSXEGCC-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
Clinical Information about the Compound