General Information of the Compound
Compound ID |
CP0541052
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Compound Name |
(4S)-3-[(2S,3S)-3-(cyclohexen-1-yl)-3-hydroxy-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
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Structure |
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Formula |
C16H25NO4
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Molecular Weight |
295.379
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Canonical SMILES |
CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)C1=CCCCC1
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InChI |
InChI=1S/C16H25NO4/c1-10(2)13-9-21-16(20)17(13)15(19)11(3)14(18)12-7-5-4-6-8-12/h7,10-11,13-14,18H,4-6,8-9H2,1-3H3/t11-,13+,14-/m0/s1
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InChIKey |
VKUFVKYLFZVBDA-YUTCNCBUSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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