General Information of the Compound
| Compound ID |
CP0521338
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| Compound Name |
CHEMBL2178386
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
NC(=O)c1cccc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C20H22N2O3/c21-20(25)18-3-1-2-17(22-18)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-19(23)24/h1-3,8-11,13-14H,4-7,12H2,(H2,21,25)(H,23,24)/t13-,14-
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| InChIKey |
ZDHOTOWEQKLEGE-HDJSIYSDSA-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