General Information of the Compound
| Compound ID |
CP0464183
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| Compound Name |
(S)-3-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C33H40N4O5S
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| Molecular Weight |
604.773
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1cccc(C)c1C)C(O)=O
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| InChI |
InChI=1S/C33H40N4O5S/c1-23-9-15-28(16-10-23)43(41,42)37-17-5-8-31(37)32(38)34-29(33(39)40)22-26-11-13-27(14-12-26)35-18-20-36(21-19-35)30-7-4-6-24(2)25(30)3/h4,6-7,9-16,29,31H,5,8,17-22H2,1-3H3,(H,34,38)(H,39,40)/t29-,31-/m0/s1
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| InChIKey |
RJMUZBGFVXULMJ-SMCANUKXSA-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