General Information of the Compound
| Compound ID |
CP0494619
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| Compound Name |
4-bromo-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
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| Structure |
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| Formula |
C26H31BrF3N5O3S
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| Molecular Weight |
630.531
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| Canonical SMILES |
CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
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| InChI |
InChI=1S/C26H31BrF3N5O3S/c1-34(2)24-20-6-4-5-7-21(20)32-25(33-24)31-15-17-8-10-18(11-9-17)16-35(3)39(36,37)23-13-12-19(27)14-22(23)38-26(28,29)30/h4-7,12-14,17-18H,8-11,15-16H2,1-3H3,(H,31,32,33)
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| InChIKey |
KZRCWZJRCYMXFF-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