General Information of the Compound
| Compound ID |
CP0094903
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| Compound Name |
(S)-1-(9H-Carbazol-4-yloxy)-3-[1-(4-methoxy-benzenesulfonyl)-piperidin-4-ylamino]-propan-2-ol
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| Structure |
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| Formula |
C27H31N3O5S
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| Molecular Weight |
509.628
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
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| InChI |
InChI=1S/C27H31N3O5S/c1-34-21-9-11-22(12-10-21)36(32,33)30-15-13-19(14-16-30)28-17-20(31)18-35-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,19-20,28-29,31H,13-18H2,1H3/t20-/m0/s1
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| InChIKey |
ZOLCDBJAUYIOTD-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