General Information of the Compound
| Compound ID |
CP0371839
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| Compound Name |
2-tert-butyl-4-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
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| Structure |
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| Formula |
C17H20FN3
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| Molecular Weight |
285.366
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| Canonical SMILES |
CC(C)(C)c1nc2CCNCc2c(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C17H20FN3/c1-17(2,3)16-20-14-8-9-19-10-13(14)15(21-16)11-4-6-12(18)7-5-11/h4-7,19H,8-10H2,1-3H3
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| InChIKey |
YXTJOVZVHZIUNM-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C