General Information of the Compound
| Compound ID |
CP0360976
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| Compound Name |
1-cyano-3-(3,5-dichlorophenyl)-2-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]guanidine
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| Structure |
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| Formula |
C23H22Cl2N6O
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| Molecular Weight |
469.376
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(Nc2cc(Cl)cc(Cl)c2)=NC#N)cc1)c1cccnc1
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| InChI |
InChI=1S/C23H22Cl2N6O/c24-18-10-19(25)12-21(11-18)31-23(29-15-26)30-20-5-3-16(4-6-20)7-9-28-14-22(32)17-2-1-8-27-13-17/h1-6,8,10-13,22,28,32H,7,9,14H2,(H2,29,30,31)/t22-/m0/s1
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| InChIKey |
SCPWXWVQKKHCDG-QFIPXVFZSA-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