General Information of the Compound
| Compound ID |
CP0378013
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| Compound Name |
2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-benzoylamino)-pentanedioic acid
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| Structure |
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| Formula |
C26H34N4O9S
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| Molecular Weight |
578.644
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C26H34N4O9S/c1-40(38,39)29-21-14-17(4-8-22(21)31)23(32)15-27-18-10-12-30(13-11-18)19-5-2-16(3-6-19)25(35)28-20(26(36)37)7-9-24(33)34/h2-6,8,14,18,20,23,27,29,31-32H,7,9-13,15H2,1H3,(H,28,35)(H,33,34)(H,36,37)/t20-,23-/m0/s1
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| InChIKey |
AZINCISUKKFOHZ-REWPJTCUSA-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