General Information of the Compound
| Compound ID |
CP0529669
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| Compound Name |
1-(6-thiophen-2-yl-pyridazin-3-yl)-piperidine-4-carboxylic acid [1-(4-methyl-benzyl)-pyrrolidin-3-ylmethyl]-amide
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| Structure |
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| Formula |
C27H33N5OS
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| Molecular Weight |
475.662
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| Canonical SMILES |
Cc1ccc(CN2CCC(CNC(=O)C3CCN(CC3)c3ccc(nn3)-c3cccs3)C2)cc1
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| InChI |
InChI=1S/C27H33N5OS/c1-20-4-6-21(7-5-20)18-31-13-10-22(19-31)17-28-27(33)23-11-14-32(15-12-23)26-9-8-24(29-30-26)25-3-2-16-34-25/h2-9,16,22-23H,10-15,17-19H2,1H3,(H,28,33)
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| InChIKey |
JTDVOOWYOMRNCY-UHFFFAOYSA-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