General Information of the Compound
| Compound ID |
CP0489338
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| Compound Name |
(S)-3-(4-(4-methylpiperazin-1-yl)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C26H34N4O5S
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| Molecular Weight |
514.648
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| Canonical SMILES |
CN1CCN(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/C26H34N4O5S/c1-19-5-11-22(12-6-19)36(34,35)30-13-3-4-24(30)25(31)27-23(26(32)33)18-20-7-9-21(10-8-20)29-16-14-28(2)15-17-29/h5-12,23-24H,3-4,13-18H2,1-2H3,(H,27,31)(H,32,33)/t23-,24-/m0/s1
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| InChIKey |
CUJUCMOKDGIBMR-ZEQRLZLVSA-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