General Information of the Compound
| Compound ID |
CP0384229
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| Compound Name |
4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid 2-fluoro-benzylamide
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| Structure |
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| Formula |
C30H37FN4O4
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| Molecular Weight |
536.648
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2ccccc2F)cc1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C30H37FN4O4/c31-29-4-2-1-3-23(29)19-33-30(38)35-17-14-25(15-18-35)34-24-7-5-22(6-8-24)13-16-32-20-27(37)21-39-28-11-9-26(36)10-12-28/h1-12,25,27,32,34,36-37H,13-21H2,(H,33,38)/t27-/m0/s1
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| InChIKey |
MDBBJZJBBPQWBV-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: PT01493, Beta-3 adrenergic receptor