General Information of the Compound
| Compound ID |
CP0468443
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| Compound Name |
US8853203, 99d
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| Structure |
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| Formula |
C25H23N5O2
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| Molecular Weight |
425.492
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| Canonical SMILES |
COc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
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| InChI |
InChI=1S/C25H23N5O2/c1-32-24-8-7-17(12-27-24)18-3-2-4-20-19(18)9-10-30-22(20)11-23(26-13-25(30)31)29-14-21(28-15-29)16-5-6-16/h2-4,7-8,11-12,14-16H,5-6,9-10,13H2,1H3
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| InChIKey |
IOOFWYZPFLWWHC-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