General Information of the Compound
| Compound ID |
CP0551838
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| Compound Name |
2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,3-thiazol-2-ylmethyl)propanamide
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| Formula |
C26H27N5O3S
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| Molecular Weight |
489.601
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| Canonical SMILES |
CC(C)(C)C(=O)N(CC(=O)Nc1ccc2CC3(Cc2c1)C(=O)Nc1ncccc31)Cc1nccs1
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| InChI |
InChI=1S/C26H27N5O3S/c1-25(2,3)24(34)31(15-21-27-9-10-35-21)14-20(32)29-18-7-6-16-12-26(13-17(16)11-18)19-5-4-8-28-22(19)30-23(26)33/h4-11H,12-15H2,1-3H3,(H,29,32)(H,28,30,33)
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| InChIKey |
QYBCXIBKRVGAGZ-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
Protein ID: PT07329, Calcitonin gene-related peptide 2
Protein ID: PT06777, Protein ADM2