General Information of the Compound
| Compound ID |
CP0540410
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| Compound Name |
CHEMBL3087506
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| Formula |
C17H21NO3S
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| Molecular Weight |
319.426
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| Canonical SMILES |
Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O
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| InChI |
InChI=1S/C17H21NO3S/c1-13-4-3-5-14(10-13)8-9-17(19)11-15-6-7-16(12-17)18(15)22(2,20)21/h3-5,10,15-16,19H,6-7,11-12H2,1-2H3/t15-,16+,17+
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| InChIKey |
LODLLRMOQYZKNX-FVQHAEBGSA-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