General Information of the Compound
| Compound ID |
CP0518260
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| Compound Name |
2-(4-cyclobutylpiperazin-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 |
C29H31F6N7
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| Molecular Weight |
591.604
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C29H31F6N7/c30-28(31,32)19-6-8-20(9-7-19)37-25-22-10-13-41(26-23(29(33,34)35)5-2-12-36-26)14-11-24(22)38-27(39-25)42-17-15-40(16-18-42)21-3-1-4-21/h2,5-9,12,21H,1,3-4,10-11,13-18H2,(H,37,38,39)
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| InChIKey |
AZRVHUILULJHOJ-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