General Information of the Compound
| Compound ID |
CP0371725
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| Compound Name |
N-[2-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]ethylsulfonyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H30ClN3O5S2
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| Molecular Weight |
552.118
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| Canonical SMILES |
C[C@H](CNc1cccc(CCS(=O)(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H30ClN3O5S2/c1-19(27-18-25(30)21-8-6-9-22(26)16-21)17-28-23-10-5-7-20(15-23)13-14-35(31,32)29-36(33,34)24-11-3-2-4-12-24/h2-12,15-16,19,25,27-30H,13-14,17-18H2,1H3/t19-,25+/m1/s1
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| InChIKey |
IABOTPGCAUXJSC-CLOONOSVSA-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