General Information of the Compound
| Compound ID |
CP0404811
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| Compound Name |
4-Bromo-N-[4-(quinazolin-2-ylaminomethyl)-cyclohexylmethyl]-2-trifluoromethoxy-benzenesulfonamide
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| Structure |
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| Formula |
C23H24BrF3N4O3S
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| Molecular Weight |
573.435
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| Canonical SMILES |
FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CNc2ncc3ccccc3n2)CC1
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| InChI |
InChI=1S/C23H24BrF3N4O3S/c24-18-9-10-21(20(11-18)34-23(25,26)27)35(32,33)30-13-16-7-5-15(6-8-16)12-28-22-29-14-17-3-1-2-4-19(17)31-22/h1-4,9-11,14-16,30H,5-8,12-13H2,(H,28,29,31)
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| InChIKey |
BKDDSROSFZKQTN-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: PT01795, Neuropeptide Y receptor type 5