General Information of the Compound
| Compound ID |
CP0403283
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| Compound Name |
4-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]benzene-1,3-dicarboxylic acid
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| Structure |
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| Formula |
C25H25ClN2O5
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| Molecular Weight |
468.937
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| Canonical SMILES |
C[C@H](CNc1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H25ClN2O5/c1-15(27-14-23(29)17-5-2-6-19(26)10-17)13-28-20-7-3-4-16(11-20)21-9-8-18(24(30)31)12-22(21)25(32)33/h2-12,15,23,27-29H,13-14H2,1H3,(H,30,31)(H,32,33)/t15-,23+/m1/s1
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| InChIKey |
DNYHEVPHQAGYME-CMJOXMDJSA-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