General Information of the Compound
| Compound ID |
CP0514433
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| Compound Name |
1-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-3-propylurea
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| Structure |
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| Formula |
C25H31N5O4S
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| Molecular Weight |
497.621
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| Canonical SMILES |
CCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C25H31N5O4S/c1-2-14-28-25(32)29-21-9-11-23(12-10-21)35(33,34)30-22-7-5-19(6-8-22)13-16-27-18-24(31)20-4-3-15-26-17-20/h3-12,15,17,24,27,30-31H,2,13-14,16,18H2,1H3,(H2,28,29,32)/t24-/m0/s1
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| InChIKey |
FFQQLHXSDCVRAG-DEOSSOPVSA-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