General Information of the Compound
| Compound ID |
CP0403918
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| Compound Name |
1-(9H-Carbazol-4-yloxy)-3-{[1-(3,3,3-trifluoro-propyl)-piperidin-4-ylmethyl]-amino}-propan-2-ol
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| Structure |
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| Formula |
C24H30F3N3O2
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| Molecular Weight |
449.517
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| Canonical SMILES |
O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12
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| InChI |
InChI=1S/C24H30F3N3O2/c25-24(26,27)10-13-30-11-8-17(9-12-30)14-28-15-18(31)16-32-22-7-3-6-21-23(22)19-4-1-2-5-20(19)29-21/h1-7,17-18,28-29,31H,8-16H2/t18-/m0/s1
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| InChIKey |
KYEXTNNLWDSEAZ-SFHVURJKSA-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