General Information of the Compound
| Compound ID |
CP0562219
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| Compound Name |
CHEMBL4639957
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| Formula |
C22H32N2O2
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| Molecular Weight |
356.51
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| Canonical SMILES |
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1N[C@H]1CC[C@@H](CC1)NCCC(O)=O
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| InChI |
InChI=1S/C22H32N2O2/c1-2-17(14-16-6-4-3-5-7-16)20-15-21(20)24-19-10-8-18(9-11-19)23-13-12-22(25)26/h3-7,14,18-21,23-24H,2,8-13,15H2,1H3,(H,25,26)/b17-14+/t18-,19-,20-,21+/m0/s1
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| InChIKey |
FUUWBKZJOJEMKI-KZRIWZHQSA-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