General Information of the Compound
| Compound ID |
CP0418498
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| Compound Name |
N-[[2-[(diaminomethylideneamino)methyl]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 |
C31H35N7O3
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| Molecular Weight |
553.667
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| Canonical SMILES |
CC(C)(C)C(=O)N(CC(=O)Nc1ccc2CC3(Cc2c1)C(=O)Nc1ncccc31)Cc1ccccc1CNC(N)=N
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| InChI |
InChI=1S/C31H35N7O3/c1-30(2,3)28(41)38(17-21-8-5-4-7-20(21)16-35-29(32)33)18-25(39)36-23-11-10-19-14-31(15-22(19)13-23)24-9-6-12-34-26(24)37-27(31)40/h4-13H,14-18H2,1-3H3,(H,36,39)(H4,32,33,35)(H,34,37,40)
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| InChIKey |
JLHNNVWWPUUIQC-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