General Information of the Compound
| Compound ID |
CP0801317
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| Compound Name |
N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(3-octyl-2,5-dioxo-imidazolidin-1-yl)-benzenesulfonamide
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| Structure |
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| Formula |
C32H41N5O5S
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| Molecular Weight |
607.777
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| Canonical SMILES |
CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O
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| InChI |
InChI=1S/C32H41N5O5S/c1-2-3-4-5-6-7-21-36-24-31(39)37(32(36)40)28-14-16-29(17-15-28)43(41,42)35-27-12-10-25(11-13-27)18-20-34-23-30(38)26-9-8-19-33-22-26/h8-17,19,22,30,34-35,38H,2-7,18,20-21,23-24H2,1H3/t30-/m0/s1
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| InChIKey |
NKRNPLWVYLCVJZ-PMERELPUSA-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