General Information of the Compound
| Compound ID |
CP0553315
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| Compound Name |
CHEMBL2204054
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| Formula |
C20H21N3O2S
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| Molecular Weight |
367.474
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| Canonical SMILES |
O=c1[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2nccs2)c(=O)[nH]1
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| InChI |
InChI=1S/C20H21N3O2S/c24-19-16(12-17-21-10-11-26-17)18(22-20(25)23-19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-11,14-15H,6-9,12H2,(H2,22,23,24,25)/t14-,15+
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| InChIKey |
BQKFLGKVHUYRPC-GASCZTMLSA-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