General Information of the Compound
| Compound ID |
CP0486805
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| Compound Name |
(S)-3-(4-(4-phenylpiperazin-1-yl)phenyl)-2-((S)-3-tosylthiazolidine-4-carboxamido)propanoic acid
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| Structure |
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| Formula |
C30H34N4O5S2
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| Molecular Weight |
594.759
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C30H34N4O5S2/c1-22-7-13-26(14-8-22)41(38,39)34-21-40-20-28(34)29(35)31-27(30(36)37)19-23-9-11-25(12-10-23)33-17-15-32(16-18-33)24-5-3-2-4-6-24/h2-14,27-28H,15-21H2,1H3,(H,31,35)(H,36,37)/t27-,28+/m0/s1
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| InChIKey |
SFDMPCQUNHHBRT-WUFINQPMSA-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