General Information of the Compound
| Compound ID |
CP0382523
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| Compound Name |
2-(3-(methylamino)pyrrolidin-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 |
CNC1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C26H27F6N7/c1-33-18-8-12-39(15-18)24-36-21-10-14-38(23-20(26(30,31)32)3-2-11-34-23)13-9-19(21)22(37-24)35-17-6-4-16(5-7-17)25(27,28)29/h2-7,11,18,33H,8-10,12-15H2,1H3,(H,35,36,37)
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| InChIKey |
VXNXKOQHRMWNCX-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