General Information of the Compound
| Compound ID |
CP0572343
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| Compound Name |
2,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-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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| Formula |
C29H37N5O3
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| Molecular Weight |
503.647
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| Canonical SMILES |
CN1CCCC(CN(CC(=O)Nc2ccc3CC4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C(C)(C)C)C1
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| InChI |
InChI=1S/C29H37N5O3/c1-28(2,3)27(37)34(17-19-7-6-12-33(4)16-19)18-24(35)31-22-10-9-20-14-29(15-21(20)13-22)23-8-5-11-30-25(23)32-26(29)36/h5,8-11,13,19H,6-7,12,14-18H2,1-4H3,(H,31,35)(H,30,32,36)
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| InChIKey |
HHYJHSZGPYLRGF-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