General Information of the Compound
| Compound ID |
CP0416067
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| Compound Name |
4-(2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)-N,N-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C25H29F3N6O2S
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| Molecular Weight |
534.608
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)N(C)C)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N6O2S/c1-16(2)22-31-21-12-15-34(24-20(25(26,27)28)6-5-13-29-24)14-11-19(21)23(32-22)30-17-7-9-18(10-8-17)37(35,36)33(3)4/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,30,31,32)
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| InChIKey |
FJJUUDSNFIKAPH-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