General Information of the Compound
| Compound ID |
CP0490969
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| Compound Name |
7-(3-chloropyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
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| Structure |
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| Formula |
C20H17ClF3N5
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| Molecular Weight |
419.838
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2ncnc3CCN(CCc23)c2ncccc2Cl)cc1
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| InChI |
InChI=1S/C20H17ClF3N5/c21-16-2-1-9-25-19(16)29-10-7-15-17(8-11-29)26-12-27-18(15)28-14-5-3-13(4-6-14)20(22,23)24/h1-6,9,12H,7-8,10-11H2,(H,26,27,28)
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| InChIKey |
BHSLYPQDMMBFGB-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1