General Information of the Compound
| Compound ID |
CP0421928
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| Compound Name |
(S)-3-[4-(4-biphenyl-4-yl-piperazin-1-yl)-phenyl]-2-{[(S)-1-(toluene-4-sulfonyl)-pyrrolidine-2-carbonyl]-amino}-propionic acid
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| Structure |
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| Formula |
C37H40N4O5S
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| Molecular Weight |
652.817
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)-c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C37H40N4O5S/c1-27-9-19-33(20-10-27)47(45,46)41-21-5-8-35(41)36(42)38-34(37(43)44)26-28-11-15-31(16-12-28)39-22-24-40(25-23-39)32-17-13-30(14-18-32)29-6-3-2-4-7-29/h2-4,6-7,9-20,34-35H,5,8,21-26H2,1H3,(H,38,42)(H,43,44)/t34-,35-/m0/s1
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| InChIKey |
LLULTILUFGKYFX-PXLJZGITSA-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