General Information of the Compound
| Compound ID |
CP0558401
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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-(1,2,3,4-tetrahydroisoquinolin-8-ylmethyl)propanamide
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| Structure |
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| Formula |
C32H35N5O3
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| Molecular Weight |
537.664
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| Canonical SMILES |
CC(C)(C)C(=O)N(CC(=O)Nc1ccc2CC3(Cc2c1)C(=O)Nc1ncccc31)Cc1cccc2CCNCc12
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| InChI |
InChI=1S/C32H35N5O3/c1-31(2,3)30(40)37(18-22-7-4-6-20-11-13-33-17-25(20)22)19-27(38)35-24-10-9-21-15-32(16-23(21)14-24)26-8-5-12-34-28(26)36-29(32)39/h4-10,12,14,33H,11,13,15-19H2,1-3H3,(H,35,38)(H,34,36,39)
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| InChIKey |
COJZYXOMBGDNIO-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