General Information of the Compound
| Compound ID |
CP0561578
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| Compound Name |
N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[4-(cyclohexylmethoxy)phenyl]acetamide
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| Formula |
C21H29N3O3S
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| Molecular Weight |
403.548
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| Canonical SMILES |
NC[C@@H](NC(=O)Cc1ccc(OCC2CCCCC2)cc1)c1ncc(CO)s1
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| InChI |
InChI=1S/C21H29N3O3S/c22-11-19(21-23-12-18(13-25)28-21)24-20(26)10-15-6-8-17(9-7-15)27-14-16-4-2-1-3-5-16/h6-9,12,16,19,25H,1-5,10-11,13-14,22H2,(H,24,26)/t19-/m1/s1
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| InChIKey |
DPJQMRDITZLXEO-LJQANCHMSA-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