General Information of the Compound
| Compound ID |
CP0139363
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| Compound Name |
(S)-1-(9H-Carbazol-4-yloxy)-3-[1-(3,4-dimethoxy-benzenesulfonyl)-piperidin-4-ylamino]-propan-2-ol
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| Structure |
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| Formula |
C28H33N3O6S
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| Molecular Weight |
539.654
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
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| InChI |
InChI=1S/C28H33N3O6S/c1-35-25-11-10-21(16-27(25)36-2)38(33,34)31-14-12-19(13-15-31)29-17-20(32)18-37-26-9-5-8-24-28(26)22-6-3-4-7-23(22)30-24/h3-11,16,19-20,29-30,32H,12-15,17-18H2,1-2H3/t20-/m0/s1
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| InChIKey |
HRSJXESMWJIICU-FQEVSTJZSA-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