General Information of the Compound
| Compound ID |
CP0439423
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| Compound Name |
4'-methanesulfonylamino-biphenyl-4-carboxylic acid methyl-{(S)-1-[(S)-3-(3-phenyl-propylamino)-pyrrolidine-1-carbonyl]-pyrrolidin-3-yl}-amide
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| Structure |
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| Formula |
C33H41N5O4S
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| Molecular Weight |
603.789
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| Canonical SMILES |
CN([C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1)C(=O)c1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C33H41N5O4S/c1-36(32(39)28-12-10-26(11-13-28)27-14-16-29(17-15-27)35-43(2,41)42)31-19-22-38(24-31)33(40)37-21-18-30(23-37)34-20-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,30-31,34-35H,6,9,18-24H2,1-2H3/t30-,31-/m0/s1
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| InChIKey |
UIWRFGJWARXTLY-CONSDPRKSA-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