General Information of the Compound
| Compound ID |
CP0389568
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| Compound Name |
(S)-5-(4-((2-cyclopentylethoxy)carbonyl)piperazin-1-yl)-4-(4-(methyl(2-(methylsulfonyl)ethyl)amino)-6-phenylpicolinamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C33H45N5O8S
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| Molecular Weight |
671.817
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| Canonical SMILES |
CN(CCS(C)(=O)=O)c1cc(nc(c1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCCC1CCCC1
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| InChI |
InChI=1S/C33H45N5O8S/c1-36(19-21-47(2,44)45)26-22-28(25-10-4-3-5-11-25)34-29(23-26)31(41)35-27(12-13-30(39)40)32(42)37-15-17-38(18-16-37)33(43)46-20-14-24-8-6-7-9-24/h3-5,10-11,22-24,27H,6-9,12-21H2,1-2H3,(H,35,41)(H,39,40)/t27-/m0/s1
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| InChIKey |
UBYTXRHCAQSGCE-MHZLTWQESA-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