General Information of the Compound
| Compound ID |
CP0496140
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| Compound Name |
(R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-nitro-benzylcarbamoyl)-ethylcarbamoyl]-thiazolidine-3-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C26H38N4O6S2
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| Molecular Weight |
566.746
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C26H38N4O6S2/c1-26(2,3)36-25(33)29-17-38-16-22(29)24(32)28-21(15-37-14-19-7-5-4-6-8-19)23(31)27-13-18-9-11-20(12-10-18)30(34)35/h9-12,19,21-22H,4-8,13-17H2,1-3H3,(H,27,31)(H,28,32)/t21-,22-/m0/s1
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| InChIKey |
RMHLZTGLUVJSSD-VXKWHMMOSA-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