General Information of the Compound
| Compound ID |
CP0378340
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| Compound Name |
4-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexylmethyl]-2-trifluoromethoxy-benzenesulfonamide
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| Formula |
C24H27BrF3N5O3S
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| Molecular Weight |
602.477
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| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
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| InChI |
InChI=1S/C24H27BrF3N5O3S/c1-33(2)22-18-5-3-4-6-19(18)31-23(32-22)30-17-10-7-15(8-11-17)14-29-37(34,35)21-12-9-16(25)13-20(21)36-24(26,27)28/h3-6,9,12-13,15,17,29H,7-8,10-11,14H2,1-2H3,(H,30,31,32)/t15-,17+
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| InChIKey |
GPEOXJGBWGMANI-WOVMCDHWSA-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