General Information of the Compound
| Compound ID |
CP0503845
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| Compound Name |
2-N-[[1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
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| Structure |
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| Formula |
C23H25BrF3N5O3S
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| Molecular Weight |
588.45
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| Canonical SMILES |
CN(C)c1nc(NCC2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
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| InChI |
InChI=1S/C23H25BrF3N5O3S/c1-31(2)21-17-5-3-4-6-18(17)29-22(30-21)28-14-15-9-11-32(12-10-15)36(33,34)20-8-7-16(24)13-19(20)35-23(25,26)27/h3-8,13,15H,9-12,14H2,1-2H3,(H,28,29,30)
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| InChIKey |
UHHJLMKELWKRFM-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT01795, Neuropeptide Y receptor type 5