General Information of the Compound
| Compound ID |
CP0534464
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| Compound Name |
tert-butyl (2R)-2-[[(2R)-2-[[4-[4-[(E)-2-nitroethenyl]phenoxy]sulfonylbenzoyl]amino]propanoyl]amino]propanoate
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| Structure |
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| Formula |
C25H29N3O9S
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| Molecular Weight |
547.586
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| Canonical SMILES |
C[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(=O)N[C@H](C)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C25H29N3O9S/c1-16(22(29)27-17(2)24(31)36-25(3,4)5)26-23(30)19-8-12-21(13-9-19)38(34,35)37-20-10-6-18(7-11-20)14-15-28(32)33/h6-17H,1-5H3,(H,26,30)(H,27,29)/b15-14+/t16-,17-/m1/s1
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| InChIKey |
KNWYXKACVOBABE-MHYRICRISA-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