General Information of the Compound
| Compound ID |
CP0252090
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| Compound Name |
US8614253, 29-21
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| Structure |
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| Formula |
C20H18N2O3
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| Molecular Weight |
334.375
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| Canonical SMILES |
Oc1ccc2cc(ccc2c1C=O)-c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C20H18N2O3/c23-13-18-17-4-1-14(11-15(17)2-5-19(18)24)16-3-6-20(21-12-16)22-7-9-25-10-8-22/h1-6,11-13,24H,7-10H2
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| InChIKey |
NSIRIRJDFSNJLN-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