General Information of the Compound
| Compound ID |
CP0515440
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| Compound Name |
2-(piperidin-1-yl)-N-(5-(trifluoromethyl)pyrazin-2-yl)-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 |
C24H24F6N8
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| Molecular Weight |
538.5
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| Canonical SMILES |
FC(F)(F)c1cnc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cn1
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| InChI |
InChI=1S/C24H24F6N8/c25-23(26,27)16-5-4-8-31-21(16)37-11-6-15-17(7-12-37)34-22(38-9-2-1-3-10-38)36-20(15)35-19-14-32-18(13-33-19)24(28,29)30/h4-5,8,13-14H,1-3,6-7,9-12H2,(H,33,34,35,36)
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| InChIKey |
DKRCGUPZNPZLJO-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