General Information of the Compound
| Compound ID |
CP0377743
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| Compound Name |
CHEMBL1630521
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| Formula |
C22H27NO5
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| Molecular Weight |
385.46
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| Canonical SMILES |
CC(=O)NCCC[C@@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C22H27NO5/c1-17(24)23-13-5-8-22-26-15-21(16-27-22)28-20-11-9-19(10-12-20)25-14-18-6-3-2-4-7-18/h2-4,6-7,9-12,21-22H,5,8,13-16H2,1H3,(H,23,24)/t21-,22+
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| InChIKey |
CJOWXYBQBCABKM-SZPZYZBQSA-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