General Information of the Compound
| Compound ID |
CP0047480
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| Compound Name |
(S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydroxyphenoxy)ethylamino)ethyl)phenyl)benzenesulfonamide
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| Synonyms |
(S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydroxyphenoxy)ethylamino)ethyl)phenyl)benzenesulfonamide
159182-43-1
4-[[(HEXYLAMINO)CARBONYL]AMINO]-N-[4-[2-[[(2S)-2-HYDROXY-3-(4-HYDROXYPHENOXY)PROPYL]AMINO]ETHYL]PHENYL]-BENZENESULFONAMIDE
AKOS024456983
BDBM50070156
CHEMBL12998
CP-0074
CS-7782
EX-A2397
F10055
GTPL3931
HY-19334
J-009574
L 755507
L-755 507
L-755,507
L-755507
L755507
L755507, >
MolPort-003-983-607
NCGC00092331-01
SCHEMBL5165122
ZINC3939153
s7974
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| Structure |
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| Formula |
C30H40N4O6S
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| Molecular Weight |
584.739
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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| InChIKey |
NYYJKMXNVNFOFQ-MHZLTWQESA-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
Clinical Information about the Compound