General Information of the Compound
| Compound ID |
CP0229908
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propylamino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C26H30N2O5S
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| Molecular Weight |
482.602
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| Canonical SMILES |
O[C@@H](CNCCCOCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C26H30N2O5S/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-13-32-15-16-33-14-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1
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| InChIKey |
BYUSHVMTXZIAER-QHCPKHFHSA-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