General Information of the Compound
| Compound ID |
CP0546384
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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-[(2-pyridin-3-ylphenyl)methyl]propanamide
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| Formula |
C34H33N5O3
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| Molecular Weight |
559.67
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| Canonical SMILES |
CC(C)(C)C(=O)N(CC(=O)Nc1ccc2CC3(Cc2c1)C(=O)Nc1ncccc31)Cc1ccccc1-c1cccnc1
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| InChI |
InChI=1S/C34H33N5O3/c1-33(2,3)32(42)39(20-24-8-4-5-10-27(24)23-9-6-14-35-19-23)21-29(40)37-26-13-12-22-17-34(18-25(22)16-26)28-11-7-15-36-30(28)38-31(34)41/h4-16,19H,17-18,20-21H2,1-3H3,(H,37,40)(H,36,38,41)
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| InChIKey |
QFNSOFQZJFHPBZ-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