General Information of the Compound
| Compound ID |
CP0439255
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| Compound Name |
[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] 2-(phenylmethoxycarbonylamino)acetate
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| Structure |
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| Formula |
C32H51NO6
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| Molecular Weight |
545.761
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| Canonical SMILES |
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C32H51NO6/c1-3-5-7-9-10-11-12-13-17-21-27(23-29-28(31(35)39-29)22-18-8-6-4-2)38-30(34)24-33-32(36)37-25-26-19-15-14-16-20-26/h14-16,19-20,27-29H,3-13,17-18,21-25H2,1-2H3,(H,33,36)/t27-,28-,29-/m0/s1
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| InChIKey |
YCZKAWAKROIWGC-AWCRTANDSA-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