General Information of the Compound
| Compound ID |
CP0439053
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| Compound Name |
(R)-Ethyl 2-amino-6-(2-(tert-butoxycarbonylamino)-3-(tritylthio)propanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
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| Structure |
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| Formula |
C37H41N3O5S2
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| Molecular Weight |
671.885
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| Canonical SMILES |
CCOC(=O)c1c(N)sc2CN(CCc12)C(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C37H41N3O5S2/c1-5-44-34(42)31-28-21-22-40(23-30(28)47-32(31)38)33(41)29(39-35(43)45-36(2,3)4)24-46-37(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,29H,5,21-24,38H2,1-4H3,(H,39,43)/t29-/m0/s1
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| InChIKey |
YSZYHLUCQBRKIH-LJAQVGFWSA-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