General Information of the Compound
| Compound ID |
CP0480646
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| Compound Name |
(S)-3-{[5-(2-Chloro-4-ethoxy-phenyl)-thiophene-2-carbonyl]-methyl-amino}-pyrrolidine-1-carboxylic acid methyl-((R)-1-methyl-pyrrolidin-3-yl)-amide
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| Structure |
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| Formula |
C25H33ClN4O3S
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| Molecular Weight |
505.084
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| Canonical SMILES |
CCOc1ccc(-c2ccc(s2)C(=O)N(C)[C@H]2CCN(C2)C(=O)N(C)[C@@H]2CCN(C)C2)c(Cl)c1
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| InChI |
InChI=1S/C25H33ClN4O3S/c1-5-33-19-6-7-20(21(26)14-19)22-8-9-23(34-22)24(31)28(3)18-11-13-30(16-18)25(32)29(4)17-10-12-27(2)15-17/h6-9,14,17-18H,5,10-13,15-16H2,1-4H3/t17-,18+/m1/s1
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| InChIKey |
GRUXIYRSCHRZDE-MSOLQXFVSA-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