General Information of the Compound
| Compound ID |
CP0561861
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| Compound Name |
2-hydroxy-N-[[(3R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
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| Structure |
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| Formula |
C17H21N3O2S
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| Molecular Weight |
331.441
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| Canonical SMILES |
OCC(=O)NC[C@H]1CCN(Cc2csc(n2)-c2ccccc2)C1
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| InChI |
InChI=1S/C17H21N3O2S/c21-11-16(22)18-8-13-6-7-20(9-13)10-15-12-23-17(19-15)14-4-2-1-3-5-14/h1-5,12-13,21H,6-11H2,(H,18,22)/t13-/m1/s1
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| InChIKey |
NHESEAWKSLDBRA-CYBMUJFWSA-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