General Information of the Compound
| Compound ID |
CP0452020
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| Compound Name |
N-[5-[(1R)-2-[2-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C32H45N3O5S
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| Molecular Weight |
583.795
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| Canonical SMILES |
CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C
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| InChI |
InChI=1S/C32H45N3O5S/c1-22(2)35(23(3)4)18-16-27(25-9-7-6-8-10-25)28-19-24(11-13-30(28)36)15-17-33-21-32(38)26-12-14-31(37)29(20-26)34-41(5,39)40/h6-14,19-20,22-23,27,32-34,36-38H,15-18,21H2,1-5H3/t27-,32+/m1/s1
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| InChIKey |
NZHNIGYHUYTHPF-ZUKKLESISA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01266, Muscarinic acetylcholine receptor M3