General Information of the Compound
| Compound ID |
CP0418496
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| Compound Name |
N-[[3-(aminomethyl)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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| Formula |
C30H33N5O3
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| Molecular Weight |
511.626
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| Canonical SMILES |
CC(C)(C)C(=O)N(CC(=O)Nc1ccc2CC3(Cc2c1)C(=O)Nc1ncccc31)Cc1cccc(CN)c1
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| InChI |
InChI=1S/C30H33N5O3/c1-29(2,3)28(38)35(17-20-7-4-6-19(12-20)16-31)18-25(36)33-23-10-9-21-14-30(15-22(21)13-23)24-8-5-11-32-26(24)34-27(30)37/h4-13H,14-18,31H2,1-3H3,(H,33,36)(H,32,34,37)
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| InChIKey |
KQHGFOYAJNUCBA-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