General Information of the Compound
| Compound ID |
CP0405180
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| Compound Name |
hexadecyl 2-[(2R)-2-amino-3-[(4-hydroxy-3-methoxyphenyl)methylamino]-3-oxopropyl]sulfanylacetate;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C31H51F3N2O7S
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| Molecular Weight |
652.817
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCCCCCCCCCCCCCCCOC(=O)CSC[C@H](N)C(=O)NCc1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C29H50N2O5S.C2HF3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36-28(33)23-37-22-25(30)29(34)31-21-24-17-18-26(32)27(20-24)35-2;3-2(4,5)1(6)7/h17-18,20,25,32H,3-16,19,21-23,30H2,1-2H3,(H,31,34);(H,6,7)/t25-;/m0./s1
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| InChIKey |
AUTXTOBMVZEGKU-UQIIZPHYSA-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