General Information of the Compound
| Compound ID |
CP0472370
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| Compound Name |
tert-butyl 3-[methyl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl]amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C32H37F6N7O2
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| Molecular Weight |
665.683
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| Canonical SMILES |
CN(C1CCCN(C1)C(=O)OC(C)(C)C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C32H37F6N7O2/c1-30(2,3)47-29(46)45-16-6-7-22(19-45)43(4)28-41-25-14-18-44(27-24(32(36,37)38)8-5-15-39-27)17-13-23(25)26(42-28)40-21-11-9-20(10-12-21)31(33,34)35/h5,8-12,15,22H,6-7,13-14,16-19H2,1-4H3,(H,40,41,42)
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| InChIKey |
UYKWYCSLAOFZHJ-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