General Information of the Compound
| Compound ID |
CP0390189
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| Compound Name |
US8853203, 35
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| Synonyms |
Diazepinone derivative 2
PMID28067079-Compound-85
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| Structure |
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| Formula |
C19H19IN4O
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| Molecular Weight |
446.292
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| Canonical SMILES |
CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1
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| InChI |
InChI=1S/C19H19IN4O/c1-12(2)24-11-13(9-22-24)17-8-18-15-4-3-5-16(20)14(15)6-7-23(18)19(25)10-21-17/h3-5,8-9,11-12H,6-7,10H2,1-2H3
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| InChIKey |
WBNYTWXVORUJBL-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5
Clinical Information about the Compound