General Information of the Compound
| Compound ID |
CP0515419
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| Compound Name |
N-[6-methoxy-5-(trifluoromethyl)pyridin-2-yl]-2-piperidin-1-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
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| Structure |
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| Formula |
C26H27F6N7O
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| Molecular Weight |
567.538
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| Canonical SMILES |
COc1nc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)ccc1C(F)(F)F
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| InChI |
InChI=1S/C26H27F6N7O/c1-40-23-18(26(30,31)32)7-8-20(36-23)35-21-16-9-14-38(22-17(25(27,28)29)6-5-11-33-22)15-10-19(16)34-24(37-21)39-12-3-2-4-13-39/h5-8,11H,2-4,9-10,12-15H2,1H3,(H,34,35,36,37)
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| InChIKey |
COKOGXCQUPTSMY-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