General Information of the Compound
| Compound ID |
CP0502498
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| Compound Name |
N-[4-[2-[[(2S)-3-(6-aminopyridin-3-yl)oxy-2-hydroxypropyl]amino]ethyl]phenyl]-3,4-dichlorobenzenesulfonamide
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| Structure |
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| Formula |
C22H24Cl2N4O4S
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| Molecular Weight |
511.431
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| Canonical SMILES |
Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1
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| InChI |
InChI=1S/C22H24Cl2N4O4S/c23-20-7-6-19(11-21(20)24)33(30,31)28-16-3-1-15(2-4-16)9-10-26-12-17(29)14-32-18-5-8-22(25)27-13-18/h1-8,11,13,17,26,28-29H,9-10,12,14H2,(H2,25,27)/t17-/m0/s1
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| InChIKey |
TYQULXNTIHTDSG-KRWDZBQOSA-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