General Information of the Compound
| Compound ID |
CP0505724
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| Compound Name |
diethyl 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecylsulfanylpentanoyl]amino]heptanedioate
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| Structure |
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| Formula |
C27H51N3O6S
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| Molecular Weight |
545.787
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| Canonical SMILES |
CCCCCCCCCCCSC(=O)[C@H](N)CCC(=O)NC(CCCC(N)C(=O)OCC)C(=O)OCC
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| InChI |
InChI=1S/C27H51N3O6S/c1-4-7-8-9-10-11-12-13-14-20-37-27(34)22(29)18-19-24(31)30-23(26(33)36-6-3)17-15-16-21(28)25(32)35-5-2/h21-23H,4-20,28-29H2,1-3H3,(H,30,31)/t21?,22-,23?/m1/s1
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| InChIKey |
BEIWHMOICMAHRI-OOMBGRCJSA-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