General Information of the Compound
| Compound ID |
CP0383247
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| Compound Name |
1-(4-hexylpyrimidin-2-yl)-N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide
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| Structure |
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| Formula |
C24H28N4O2S
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| Molecular Weight |
436.581
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| Canonical SMILES |
CCCCCCc1ccnc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
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| InChI |
InChI=1S/C24H28N4O2S/c1-2-3-4-6-9-20-14-16-25-24(26-20)28-17-15-19-18-22(12-13-23(19)28)31(29,30)27-21-10-7-5-8-11-21/h5,7-8,10-14,16,18,27H,2-4,6,9,15,17H2,1H3
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| InChIKey |
YNDKGDUUHXQIGS-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor