General Information of the Compound
| Compound ID |
CP0445554
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| Compound Name |
[1-[(cyclohexylideneamino)oxycarbonylamino]-3-methoxypropan-2-yl] (Z)-octadec-9-enoate
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| Structure |
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| Formula |
C29H52N2O5
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| Molecular Weight |
508.744
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CNC(=O)ON=C1CCCCC1)COC
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| InChI |
InChI=1S/C29H52N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(32)35-27(25-34-2)24-30-29(33)36-31-26-21-18-17-19-22-26/h10-11,27H,3-9,12-25H2,1-2H3,(H,30,33)/b11-10-
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| InChIKey |
DUEITPGAHXUNMO-KHPPLWFESA-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