General Information of the Compound
| Compound ID |
CP0377755
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| Compound Name |
2-(4-methylpiperazin-1-yl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
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| Structure |
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| Formula |
C26H27F6N7
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| Molecular Weight |
551.539
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| Canonical SMILES |
CN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C26H27F6N7/c1-37-13-15-39(16-14-37)24-35-21-9-12-38(23-20(26(30,31)32)3-2-10-33-23)11-8-19(21)22(36-24)34-18-6-4-17(5-7-18)25(27,28)29/h2-7,10H,8-9,11-16H2,1H3,(H,34,35,36)
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| InChIKey |
FXFWLGLXQDHULE-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