General Information of the Compound
| Compound ID |
CP0508984
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| Compound Name |
US8653100, 31
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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 |
COc1ccc(cc1)S(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H31ClN2O4S/c1-34-23-9-11-25(12-10-23)36(32,33)31-17-18-35-24-8-3-20-13-16-30-27(26(20)19-24)28(14-2-15-28)21-4-6-22(29)7-5-21/h3-12,19,27,30-31H,2,13-18H2,1H3
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| InChIKey |
SMILIPGPZKNDRB-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