General Information of the Compound
| Compound ID |
CP0777212
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| Compound Name |
4-(3-Hexyl-2,5-dioxo-imidazolidin-1-yl)-N-{4-[2-(2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
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| Structure |
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| Formula |
C30H37N5O5S
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| Molecular Weight |
579.723
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| Canonical SMILES |
CCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O
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| InChI |
InChI=1S/C30H37N5O5S/c1-2-3-4-5-19-34-22-29(37)35(30(34)38)26-12-14-27(15-13-26)41(39,40)33-25-10-8-23(9-11-25)16-18-32-21-28(36)24-7-6-17-31-20-24/h6-15,17,20,28,32-33,36H,2-5,16,18-19,21-22H2,1H3/t28-/m0/s1
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| InChIKey |
DDCWENFMFNOHTP-NDEPHWFRSA-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