General Information of the Compound
| Compound ID |
CP0572344
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| Compound Name |
N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
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| Structure |
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| Formula |
C33H37N5O3
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| Molecular Weight |
551.691
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| Canonical SMILES |
CC(C)(C)C(=O)N(CC(=O)Nc1ccc2CC3(Cc2c1)C(=O)Nc1ncccc31)Cc1ccccc1CN1CCC1
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| InChI |
InChI=1S/C33H37N5O3/c1-32(2,3)31(41)38(20-24-9-5-4-8-23(24)19-37-14-7-15-37)21-28(39)35-26-12-11-22-17-33(18-25(22)16-26)27-10-6-13-34-29(27)36-30(33)40/h4-6,8-13,16H,7,14-15,17-21H2,1-3H3,(H,35,39)(H,34,36,40)
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| InChIKey |
UCUSEVZJMJWROC-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