General Information of the Compound
| Compound ID |
CP0270078
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| Compound Name |
(S)-1-[1-(4-Butoxy-benzenesulfonyl)-piperidin-4-ylamino]-3-(9H-carbazol-4-yloxy)-propan-2-ol
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| Structure |
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| Formula |
C30H37N3O5S
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| Molecular Weight |
551.709
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| Canonical SMILES |
CCCCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
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| InChI |
InChI=1S/C30H37N3O5S/c1-2-3-19-37-24-11-13-25(14-12-24)39(35,36)33-17-15-22(16-18-33)31-20-23(34)21-38-29-10-6-9-28-30(29)26-7-4-5-8-27(26)32-28/h4-14,22-23,31-32,34H,2-3,15-21H2,1H3/t23-/m0/s1
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| InChIKey |
OREPUSYBWQMUPX-QHCPKHFHSA-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