General Information of the Compound
| Compound ID |
CP0050866
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[3-[3-(2-phenylethoxy)propylsulfanyl]propylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C23H30N2O4S2
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| Molecular Weight |
462.637
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| Canonical SMILES |
O[C@@H](CNCCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C23H30N2O4S2/c26-19-9-8-18(22-21(19)25-23(28)31-22)20(27)16-24-11-4-14-30-15-5-12-29-13-10-17-6-2-1-3-7-17/h1-3,6-9,20,24,26-27H,4-5,10-16H2,(H,25,28)/t20-/m0/s1
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| InChIKey |
KRCTVIVPCMLXBB-FQEVSTJZSA-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