General Information of the Compound
| Compound ID |
CP0192800
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| Compound Name |
9-(1'-cyanomethylamino)-3-(4'-ethylphenyl)-3H-5-thia-1,3,6-triaza-fluoren-4-one
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| Structure |
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| Formula |
C19H15N5OS
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| Molecular Weight |
361.43
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| Canonical SMILES |
CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#N)c23)c1=O
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| InChI |
InChI=1S/C19H15N5OS/c1-2-12-3-5-13(6-4-12)24-11-23-16-15-14(21-10-8-20)7-9-22-18(15)26-17(16)19(24)25/h3-7,9,11H,2,10H2,1H3,(H,21,22)
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| InChIKey |
MYPJFABQXKXTLU-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