General Information of the Compound
| Compound ID |
CP0465883
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| Compound Name |
tert-butyl 3-[[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 |
C31H35F6N7O2
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| Molecular Weight |
651.656
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCCC(C1)Nc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C31H35F6N7O2/c1-29(2,3)46-28(45)44-15-5-6-21(18-44)40-27-41-24-13-17-43(26-23(31(35,36)37)7-4-14-38-26)16-12-22(24)25(42-27)39-20-10-8-19(9-11-20)30(32,33)34/h4,7-11,14,21H,5-6,12-13,15-18H2,1-3H3,(H2,39,40,41,42)
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| InChIKey |
CJEGOASZCHMBGO-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