General Information of the Compound
| Compound ID |
CP0449854
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| Compound Name |
1-(benzenesulfonyl)-3-[[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]methyl]urea
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| Structure |
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| Formula |
C25H29ClN4O4S
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| Molecular Weight |
517.051
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| Canonical SMILES |
C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H29ClN4O4S/c1-18(27-17-24(31)20-8-6-9-21(26)14-20)15-28-22-10-5-7-19(13-22)16-29-25(32)30-35(33,34)23-11-3-2-4-12-23/h2-14,18,24,27-28,31H,15-17H2,1H3,(H2,29,30,32)/t18-,24+/m1/s1
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| InChIKey |
GCPYHBLSPJNXID-KOSHJBKYSA-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