General Information of the Compound
| Compound ID |
CP0513663
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| Compound Name |
(S)-3-(4-(4-p-tolylpiperazin-1-yl)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C32H38N4O5S
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| Molecular Weight |
590.746
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| Canonical SMILES |
Cc1ccc(cc1)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C32H38N4O5S/c1-23-5-11-26(12-6-23)34-18-20-35(21-19-34)27-13-9-25(10-14-27)22-29(32(38)39)33-31(37)30-4-3-17-36(30)42(40,41)28-15-7-24(2)8-16-28/h5-16,29-30H,3-4,17-22H2,1-2H3,(H,33,37)(H,38,39)/t29-,30-/m0/s1
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| InChIKey |
BOZBYFDEPITTPF-KYJUHHDHSA-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