General Information of the Compound
| Compound ID |
CP0501735
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| Compound Name |
1-Hexyl-3-[4-(4-{[(S)-2-hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-urea
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| Structure |
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| Formula |
C28H42N4O6S
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| Molecular Weight |
562.733
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
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| InChI |
InChI=1S/C28H42N4O6S/c1-2-3-4-5-16-30-28(35)31-23-6-12-27(13-7-23)39(36,37)32-17-14-22(15-18-32)19-29-20-25(34)21-38-26-10-8-24(33)9-11-26/h6-13,22,25,29,33-34H,2-5,14-21H2,1H3,(H2,30,31,35)/t25-/m0/s1
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| InChIKey |
OFYUUXIYRPQSFG-VWLOTQADSA-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: PT01493, Beta-3 adrenergic receptor