General Information of the Compound
| Compound ID |
CP0411937
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| Compound Name |
US8853203, 88g
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| Structure |
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| Formula |
C21H18N6OS
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| Molecular Weight |
402.483
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| Canonical SMILES |
O=C1CN=C(C=C2N1CCc1c(cccc21)-c1nccs1)n1cnc(n1)C1CC1
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| InChI |
InChI=1S/C21H18N6OS/c28-19-11-23-18(27-12-24-20(25-27)13-4-5-13)10-17-15-2-1-3-16(21-22-7-9-29-21)14(15)6-8-26(17)19/h1-3,7,9-10,12-13H,4-6,8,11H2
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| InChIKey |
DOLMPPAKPUQJRP-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