General Information of the Compound
| Compound ID |
CP0409350
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| Compound Name |
4-Bromo-N-[4-(quinazolin-2-ylamino)-cyclohexylmethyl]-2-trifluoromethoxy-benzenesulfonamide
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| Structure |
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| Formula |
C22H22BrF3N4O3S
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| Molecular Weight |
559.408
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| Canonical SMILES |
FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CC1)Nc1ncc2ccccc2n1
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| InChI |
InChI=1S/C22H22BrF3N4O3S/c23-16-7-10-20(19(11-16)33-22(24,25)26)34(31,32)28-12-14-5-8-17(9-6-14)29-21-27-13-15-3-1-2-4-18(15)30-21/h1-4,7,10-11,13-14,17,28H,5-6,8-9,12H2,(H,27,29,30)
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| InChIKey |
NJWKXGIQDOFDKH-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