General Information of the Compound
| Compound ID |
CP0844969
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| Compound Name |
(R)-2-(6,8-dimethyl-2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5,4-de]quinoxalin-1-yl)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-5'-yl)acetamide
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| Structure |
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| Formula |
C25H24N6O5
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| Molecular Weight |
488.504
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| Canonical SMILES |
Cc1cc2c3c(c1)n(CC(=O)Nc1ccc4c(c1)C[C@]1(C4)C(=O)NC(=O)N1C)c(=O)n3CC(=O)N2C
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| InChI |
InChI=1S/C25H24N6O5/c1-13-6-17-21-18(7-13)30(24(36)31(21)12-20(33)28(17)2)11-19(32)26-16-5-4-14-9-25(10-15(14)8-16)22(34)27-23(35)29(25)3/h4-8H,9-12H2,1-3H3,(H,26,32)(H,27,34,35)/t25-/m1/s1
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| InChIKey |
HDBSRIGJXCCCTQ-RUZDIDTESA-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: PT01670, Calcitonin gene-related peptide type 1 receptor