General Information of the Compound
| Compound ID |
CP0480825
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| Compound Name |
US9434711, 401
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| Structure |
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| Formula |
C22H25NO5S2
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| Molecular Weight |
447.578
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCOC(C)(C)C)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H25NO5S2/c1-15-18-7-5-6-8-19(18)29-20(15)23(13-14-28-22(2,3)4)30(26,27)17-11-9-16(10-12-17)21(24)25/h5-12H,13-14H2,1-4H3,(H,24,25)
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| InChIKey |
XCSXUOCOXIXTIC-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