General Information of the Compound
| Compound ID |
CP0431012
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| Compound Name |
N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
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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 |
Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
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| InChI |
InChI=1S/C23H25BrF3N5O3S/c24-16-9-10-20(19(11-16)35-23(25,26)27)36(33,34)30-13-15-7-5-14(6-8-15)12-29-22-31-18-4-2-1-3-17(18)21(28)32-22/h1-4,9-11,14-15,30H,5-8,12-13H2,(H3,28,29,31,32)
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| InChIKey |
MHEKDRNEOKTABI-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