General Information of the Compound
| Compound ID |
CP0959215
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| Compound Name |
N-((1H-Indozol-4-yl)methyl)-N-(2-oxo-2-((2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)amino)-ethyl)pivalamide
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| Formula |
C30H30N6O3
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| Molecular Weight |
522.609
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| Canonical SMILES |
CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)Cc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C30H30N6O3/c1-29(2,3)28(39)36(16-19-6-4-8-24-22(19)15-32-35-24)17-25(37)33-21-10-9-18-13-30(14-20(18)12-21)23-7-5-11-31-26(23)34-27(30)38/h4-12,15H,13-14,16-17H2,1-3H3,(H,32,35)(H,33,37)(H,31,34,38)
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| InChIKey |
CQISNHNOJSENBH-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