General Information of the Compound
| Compound ID |
CP0502126
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| Compound Name |
2-(4-(2-(piperidin-1-yl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)phenyl)propan-2-ol
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| Structure |
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| Formula |
C28H33F3N6O
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| Molecular Weight |
526.607
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| Canonical SMILES |
CC(C)(O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
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| InChI |
InChI=1S/C28H33F3N6O/c1-27(2,38)19-8-10-20(11-9-19)33-24-21-12-17-36(25-22(28(29,30)31)7-6-14-32-25)18-13-23(21)34-26(35-24)37-15-4-3-5-16-37/h6-11,14,38H,3-5,12-13,15-18H2,1-2H3,(H,33,34,35)
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| InChIKey |
RMKJRBWZKAQVNJ-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