General Information of the Compound
| Compound ID |
CP0441080
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| Compound Name |
4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)benzonitrile
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| Structure |
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| Formula |
C20H22N4
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| Molecular Weight |
318.424
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| Canonical SMILES |
N#Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
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| InChI |
InChI=1S/C20H22N4/c21-13-14-5-7-15(8-6-14)19-17-9-11-22-12-10-18(17)23-20(24-19)16-3-1-2-4-16/h5-8,16,22H,1-4,9-12H2
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| InChIKey |
HTNMVRVINOXEIN-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