General Information of the Compound
| Compound ID |
CP0532365
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| Compound Name |
3-[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C24H32N4O7S
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| Molecular Weight |
520.608
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C24H32N4O7S/c1-36(34,35)27-20-14-17(4-7-21(20)29)22(30)15-26-18-9-12-28(13-10-18)19-5-2-16(3-6-19)24(33)25-11-8-23(31)32/h2-7,14,18,22,26-27,29-30H,8-13,15H2,1H3,(H,25,33)(H,31,32)/t22-/m0/s1
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| InChIKey |
NERUFVRAJCROPU-QFIPXVFZSA-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