General Information of the Compound
| Compound ID |
CP0418495
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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-pyrrolidin-3-ylphenyl)methyl]propanamide
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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)Cc1ccccc1C1CCNC1
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| InChI |
InChI=1S/C33H37N5O3/c1-32(2,3)31(41)38(19-23-7-4-5-8-26(23)22-12-14-34-18-22)20-28(39)36-25-11-10-21-16-33(17-24(21)15-25)27-9-6-13-35-29(27)37-30(33)40/h4-11,13,15,22,34H,12,14,16-20H2,1-3H3,(H,36,39)(H,35,37,40)
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| InChIKey |
WNILBSDGWPWQSU-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