General Information of the Compound
| Compound ID |
CP0465880
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| Compound Name |
2-(4-(2-(dimethylamino)ethyl)piperazin-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 |
C29H34F6N8
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| Molecular Weight |
608.635
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C29H34F6N8/c1-40(2)14-15-41-16-18-43(19-17-41)27-38-24-10-13-42(26-23(29(33,34)35)4-3-11-36-26)12-9-22(24)25(39-27)37-21-7-5-20(6-8-21)28(30,31)32/h3-8,11H,9-10,12-19H2,1-2H3,(H,37,38,39)
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| InChIKey |
NRZHWWVFFNPRMV-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