General Information of the Compound
| Compound ID |
CP0415244
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| Compound Name |
US8853203, 105
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| Structure |
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| Formula |
C21H15N5OS
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| Molecular Weight |
385.452
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| Canonical SMILES |
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cscn1)n1cnc(c1)C#C
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| InChI |
InChI=1S/C21H15N5OS/c1-2-14-10-25(12-23-14)20-8-19-17-5-3-4-16(18-11-28-13-24-18)15(17)6-7-26(19)21(27)9-22-20/h1,3-5,8,10-13H,6-7,9H2
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| InChIKey |
LMZHAMQHYOVXFF-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