General Information of the Compound
| Compound ID |
CP0446865
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| Compound Name |
CHEMBL4078903
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| Formula |
C22H23ClN2O3
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| Molecular Weight |
398.89
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| Canonical SMILES |
O[C@]1(Cc2cc(on2)-c2ccc(=O)[nH]c2)CC[C@H](Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C22H23ClN2O3/c23-18-4-1-15(2-5-18)11-16-7-9-22(27,10-8-16)13-19-12-20(28-25-19)17-3-6-21(26)24-14-17/h1-6,12,14,16,27H,7-11,13H2,(H,24,26)/t16-,22+
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| InChIKey |
BSUQWSWGPSJBIV-MIRVZWSXSA-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