General Information of the Compound
| Compound ID |
CP0534232
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| Compound Name |
(S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-N-((S)-1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C33H41N3O5S
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| Molecular Weight |
591.774
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| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C33H41N3O5S/c1-23-20-30(41-4)24(2)25(3)31(23)42(39,40)35-28(21-26-14-8-5-9-15-26)32(37)34-29(22-27-16-10-6-11-17-27)33(38)36-18-12-7-13-19-36/h5-6,8-11,14-17,20,28-29,35H,7,12-13,18-19,21-22H2,1-4H3,(H,34,37)/t28-,29-/m0/s1
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| InChIKey |
QRZXUUGUFFCWRJ-VMPREFPWSA-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