General Information of the Compound
| Compound ID |
CP0373724
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| Compound Name |
(R)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)acetamide
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| Structure |
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| Formula |
C25H27N5O3S
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| Molecular Weight |
477.59
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| Canonical SMILES |
Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C
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| InChI |
InChI=1S/C25H27N5O3S/c1-16-17(2)34-24-23(16)25(33)30(15-28-24)14-22(32)29-20-7-5-18(6-8-20)9-11-27-13-21(31)19-4-3-10-26-12-19/h3-8,10,12,15,21,27,31H,9,11,13-14H2,1-2H3,(H,29,32)/t21-/m0/s1
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| InChIKey |
WMMRHBOBYZRGIN-NRFANRHFSA-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