General Information of the Compound
| Compound ID |
CP0451174
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| Compound Name |
US10207991, Ex. Cpd. No. 11
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| Synonyms |
Isoindoline derivative 2
PMID30185082-Compound-67
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| Structure |
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| Formula |
C20H23Cl2NO2
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| Molecular Weight |
380.315
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| Canonical SMILES |
COc1cc2CN(Cc2cc1OC)[C@H](C)CCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H23Cl2NO2/c1-13(4-5-14-6-7-17(21)18(22)8-14)23-11-15-9-19(24-2)20(25-3)10-16(15)12-23/h6-10,13H,4-5,11-12H2,1-3H3/t13-/m1/s1
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| InChIKey |
QOXCLDKXSCBOOF-CYBMUJFWSA-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
Clinical Information about the Compound