General Information of the Compound
| Compound ID |
CP0471833
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| Compound Name |
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(Z)-octadec-9-enyl]sulfanylpropanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C31H51F3N2O5S
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| Molecular Weight |
620.819
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCCCCCCC\C=C/CCCCCCCCSC[C@H](N)C(=O)NCc1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C29H50N2O3S.C2HF3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35-24-26(30)29(33)31-23-25-19-20-27(32)28(22-25)34-2;3-2(4,5)1(6)7/h10-11,19-20,22,26,32H,3-9,12-18,21,23-24,30H2,1-2H3,(H,31,33);(H,6,7)/b11-10-;/t26-;/m0./s1
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| InChIKey |
BJWYSGFBMFHXMA-ZDAHPACKSA-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