General Information of the Compound
| Compound ID |
CP0515426
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| Compound Name |
2-methyl-2-(4-(2-morpholino-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 |
C28H31F3N6O3
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| Molecular Weight |
556.589
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| Canonical SMILES |
CC(C)(C(O)=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
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| InChI |
InChI=1S/C28H31F3N6O3/c1-27(2,25(38)39)18-5-7-19(8-6-18)33-23-20-9-12-36(24-21(28(29,30)31)4-3-11-32-24)13-10-22(20)34-26(35-23)37-14-16-40-17-15-37/h3-8,11H,9-10,12-17H2,1-2H3,(H,38,39)(H,33,34,35)
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| InChIKey |
UVIIAVDBGUZZMG-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