General Information of the Compound
| Compound ID |
CP0557197
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| Compound Name |
US8853203, 70
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| Structure |
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| Formula |
C24H27N5O2
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| Molecular Weight |
417.513
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| Canonical SMILES |
O=C1CN=C(C=C2N1CCc1c(cccc21)N1CCOCC1)n1cnc(c1)C1CCC1
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| InChI |
InChI=1S/C24H27N5O2/c30-24-14-25-23(28-15-20(26-16-28)17-3-1-4-17)13-22-18-5-2-6-21(19(18)7-8-29(22)24)27-9-11-31-12-10-27/h2,5-6,13,15-17H,1,3-4,7-12,14H2
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| InChIKey |
YBPFLVXUQIMFOD-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