General Information of the Compound
| Compound ID |
CP0320565
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| Compound Name |
(S)-N-[3-(2-Dimethylamino-ethoxy)-phenyl]-2-[(R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-propionamide
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| Structure |
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| Formula |
C29H38N4O7S
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| Molecular Weight |
586.711
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| Canonical SMILES |
COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(OCCN(C)C)c1
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| InChI |
InChI=1S/C29H38N4O7S/c1-29(21-10-12-23(39-4)13-11-21,28(36)31-22-7-6-8-24(18-22)40-16-15-33(2)3)30-19-27(35)20-9-14-26(34)25(17-20)32-41(5,37)38/h6-14,17-18,27,30,32,34-35H,15-16,19H2,1-5H3,(H,31,36)/t27-,29-/m0/s1
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| InChIKey |
FDIMPSPXYRRAAO-YTMVLYRLSA-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