General Information of the Compound
| Compound ID |
CP0430396
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-4-methyl-2-(pyrrolidin-1-yl)benzamide
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(c1)N1CCCC1
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| InChI |
InChI=1S/C27H32N4O2/c1-20-6-11-24(25(17-20)31-15-2-3-16-31)27(33)30-23-9-7-21(8-10-23)12-14-29-19-26(32)22-5-4-13-28-18-22/h4-11,13,17-18,26,29,32H,2-3,12,14-16,19H2,1H3,(H,30,33)/t26-/m0/s1
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| InChIKey |
DYXJOAWSFXOAAY-SANMLTNESA-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