General Information of the Compound
| Compound ID |
CP0531907
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| Compound Name |
N-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-N-methyl-3-(2-phenylethoxy)propanamide
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| Structure |
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| Formula |
C23H29N3O5S
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| Molecular Weight |
459.568
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| Canonical SMILES |
CN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
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| InChI |
InChI=1S/C23H29N3O5S/c1-26(20(29)10-14-31-13-9-16-5-3-2-4-6-16)12-11-24-15-19(28)17-7-8-18(27)21-22(17)32-23(30)25-21/h2-8,19,24,27-28H,9-15H2,1H3,(H,25,30)/t19-/m0/s1
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| InChIKey |
GWDLQAAVOQBLDF-IBGZPJMESA-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