General Information of the Compound
| Compound ID |
CP0423377
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| Compound Name |
[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-amino-4-methylpentanoate
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| Structure |
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| Formula |
C28H53NO4
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| Molecular Weight |
467.735
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| Canonical SMILES |
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](N)CC(C)C
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| InChI |
InChI=1S/C28H53NO4/c1-5-7-9-11-12-13-14-15-16-18-23(32-28(31)25(29)20-22(3)4)21-26-24(27(30)33-26)19-17-10-8-6-2/h22-26H,5-21,29H2,1-4H3/t23-,24-,25-,26-/m0/s1
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| InChIKey |
GIETWVLMMDTRGZ-CQJMVLFOSA-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