General Information of the Compound
| Compound ID |
CP0549837
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| Compound Name |
CHEMBL1642408
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| Formula |
C20H23NO2S2
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| Molecular Weight |
373.543
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| Canonical SMILES |
Cc1ccc(s1)C(=CCCN1C[C@H]2[C@@H](C1)[C@H]2C(O)=O)c1ccc(C)s1
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| InChI |
InChI=1S/C20H23NO2S2/c1-12-5-7-17(24-12)14(18-8-6-13(2)25-18)4-3-9-21-10-15-16(11-21)19(15)20(22)23/h4-8,15-16,19H,3,9-11H2,1-2H3,(H,22,23)/t15-,16+,19-
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| InChIKey |
JMFXQGNCJBXLCG-HGKCTWBKSA-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