General Information of the Compound
| Compound ID |
CP0333214
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide
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| Structure |
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| Formula |
C32H43N5O4S
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| Molecular Weight |
593.794
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| Canonical SMILES |
CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1
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| InChIKey |
SNWNTDPDTKRCGC-HKBQPEDESA-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