General Information of the Compound
| Compound ID |
CP0844965
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| Compound Name |
(S)-2-Cyano-1-(4-{2-[(2-hydroxy-3-phenoxypropyl)-amino]ethyl}phenyl)-3-phenylguanidine hydrochloride
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| Structure |
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| Formula |
C25H28ClN5O2
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| Molecular Weight |
465.985
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| Canonical SMILES |
Cl.N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1
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| InChI |
InChI=1S/C25H27N5O2.ClH/c26-19-28-25(29-21-7-3-1-4-8-21)30-22-13-11-20(12-14-22)15-16-27-17-23(31)18-32-24-9-5-2-6-10-24;/h1-14,23,27,31H,15-18H2,(H2,28,29,30);1H/t23-;/m0./s1
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| InChIKey |
GVOAACZHWDLLIX-BQAIUKQQSA-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