General Information of the Compound
| Compound ID |
CP0460015
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| Compound Name |
US8853203, 41
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| Structure |
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| Formula |
C24H25N3O3
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| Molecular Weight |
403.482
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| Canonical SMILES |
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1
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| InChI |
InChI=1S/C24H25N3O3/c1-29-18-5-2-4-17(14-18)21-15-23-19-6-3-7-22(26-10-12-30-13-11-26)20(19)8-9-27(23)24(28)16-25-21/h2-7,14-15H,8-13,16H2,1H3
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| InChIKey |
IWHFCYRFOMASRN-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