General Information of the Compound
| Compound ID |
CP0424161
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| Compound Name |
CHEMBL4444597
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| Formula |
C23H31N3O4S
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| Molecular Weight |
445.585
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| Canonical SMILES |
Cc1c(Nc2ccc(cc2)S(C)(=O)=O)ncnc1O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1
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| InChI |
InChI=1S/C23H31N3O4S/c1-16-20(26-17-5-7-19(8-6-17)31(4,27)28)24-15-25-21(16)30-18-9-11-23(12-10-18)13-22(2,3)29-14-23/h5-8,15,18H,9-14H2,1-4H3,(H,24,25,26)/t18-,23+
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| InChIKey |
UWOLKSMVLJGQTA-QRTMHTFLSA-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