General Information of the Compound
| Compound ID |
CP0430919
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| Compound Name |
1-[(S)-4-(4-{[3-(9H-Carbazol-4-yloxy)-2-hydroxy-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-3-hexyl-urea
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| Structure |
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| Formula |
C34H45N5O5S
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| Molecular Weight |
635.831
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
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| InChI |
InChI=1S/C34H45N5O5S/c1-2-3-4-7-19-36-34(41)37-26-13-15-28(16-14-26)45(42,43)39-20-17-25(18-21-39)22-35-23-27(40)24-44-32-12-8-11-31-33(32)29-9-5-6-10-30(29)38-31/h5-6,8-16,25,27,35,38,40H,2-4,7,17-24H2,1H3,(H2,36,37,41)/t27-/m0/s1
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| InChIKey |
OZLHOOXTNYHATN-MHZLTWQESA-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