General Information of the Compound
| Compound ID |
CP0439022
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| Compound Name |
(S)-3-{[5-(2-Chloro-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 |
C23H29ClN4O2S
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| Molecular Weight |
461.031
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| Canonical SMILES |
CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccccc1Cl
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| InChI |
InChI=1S/C23H29ClN4O2S/c1-25-12-10-16(14-25)27(3)23(30)28-13-11-17(15-28)26(2)22(29)21-9-8-20(31-21)18-6-4-5-7-19(18)24/h4-9,16-17H,10-15H2,1-3H3/t16-,17+/m1/s1
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| InChIKey |
MHTQBXQOUGXETQ-SJORKVTESA-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