General Information of the Compound
| Compound ID |
CP0512598
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| Compound Name |
2-methyl-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)propanoic acid
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| Structure |
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| Formula |
C29H33F3N6O2
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| Molecular Weight |
554.617
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| Canonical SMILES |
CC(C)(C(O)=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
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| InChI |
InChI=1S/C29H33F3N6O2/c1-28(2,26(39)40)19-8-10-20(11-9-19)34-24-21-12-17-37(25-22(29(30,31)32)7-6-14-33-25)18-13-23(21)35-27(36-24)38-15-4-3-5-16-38/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,39,40)(H,34,35,36)
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| InChIKey |
MTRRARFCGONWPC-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