General Information of the Compound
| Compound ID |
CP0498143
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| Compound Name |
1-cyano-3-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-naphthalen-1-ylguanidine
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| Structure |
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| Formula |
C27H26N6O
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| Molecular Weight |
450.546
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(Nc2cccc3ccccc23)=NC#N)cc1)c1cccnc1
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| InChI |
InChI=1S/C27H26N6O/c28-19-31-27(33-25-9-3-6-21-5-1-2-8-24(21)25)32-23-12-10-20(11-13-23)14-16-30-18-26(34)22-7-4-15-29-17-22/h1-13,15,17,26,30,34H,14,16,18H2,(H2,31,32,33)/t26-/m0/s1
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| InChIKey |
ZATHFADCCIHSFX-SANMLTNESA-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