General Information of the Compound
| Compound ID |
CP0375236
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| Compound Name |
1-[4-(4-{[(S)-2-Hydroxy-3-(8-hydroxy-2-oxo-1,2,3,4-tetrahydro-quinolin-5-yloxy)-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-3-octyl-urea
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| Structure |
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| Formula |
C33H49N5O7S
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| Molecular Weight |
659.85
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| Canonical SMILES |
CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)CC1
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| InChI |
InChI=1S/C33H49N5O7S/c1-2-3-4-5-6-7-18-35-33(42)36-25-8-10-27(11-9-25)46(43,44)38-19-16-24(17-20-38)21-34-22-26(39)23-45-30-14-13-29(40)32-28(30)12-15-31(41)37-32/h8-11,13-14,24,26,34,39-40H,2-7,12,15-23H2,1H3,(H,37,41)(H2,35,36,42)/t26-/m0/s1
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| InChIKey |
SRQIEPXVDNZHRF-SANMLTNESA-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