General Information of the Compound
| Compound ID |
CP0437539
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| Compound Name |
2-methoxy-5-[(2R)-2-[2-(2-propan-2-yloxyphenoxy)ethylamino]propyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H30N2O5S
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| Molecular Weight |
422.547
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| Canonical SMILES |
COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O
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| InChI |
InChI=1S/C21H30N2O5S/c1-15(2)28-19-8-6-5-7-18(19)27-12-11-23-16(3)13-17-9-10-20(26-4)21(14-17)29(22,24)25/h5-10,14-16,23H,11-13H2,1-4H3,(H2,22,24,25)/t16-/m1/s1
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| InChIKey |
UZJCBXIOEQNDPF-MRXNPFEDSA-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor