General Information of the Compound
| Compound ID |
CP0508736
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| Compound Name |
(S)-3-{[5-(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 |
C25H34N4O3S
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| Molecular Weight |
470.639
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| Canonical SMILES |
CCOc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N(C)[C@@H]1CCN(C)C1
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| InChI |
InChI=1S/C25H34N4O3S/c1-5-32-21-8-6-18(7-9-21)22-10-11-23(33-22)24(30)27(3)20-13-15-29(17-20)25(31)28(4)19-12-14-26(2)16-19/h6-11,19-20H,5,12-17H2,1-4H3/t19-,20+/m1/s1
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| InChIKey |
XQYRZJRJIFRNGI-UXHICEINSA-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