General Information of the Compound
| Compound ID |
CP0390252
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| Compound Name |
US8653100, 18
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| Structure |
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| Formula |
C28H31ClN2O4S
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| Molecular Weight |
527.086
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| Canonical SMILES |
COc1ccccc1S(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H31ClN2O4S/c1-34-25-5-2-3-6-26(25)36(32,33)31-17-18-35-23-12-7-20-13-16-30-27(24(20)19-23)28(14-4-15-28)21-8-10-22(29)11-9-21/h2-3,5-12,19,27,30-31H,4,13-18H2,1H3
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| InChIKey |
IYOCVWKMKBXMFB-UHFFFAOYSA-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