General Information of the Compound
| Compound ID |
CP0388603
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| Compound Name |
1-(1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)-3-phenoxypropan-2-ol
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| Structure |
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| Formula |
C27H30N4O2S
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| Molecular Weight |
474.63
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| Canonical SMILES |
Cc1c(sc2ncnc(N3CCC(CC3)NCC(O)COc3ccccc3)c12)-c1ccccc1
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| InChI |
InChI=1S/C27H30N4O2S/c1-19-24-26(29-18-30-27(24)34-25(19)20-8-4-2-5-9-20)31-14-12-21(13-15-31)28-16-22(32)17-33-23-10-6-3-7-11-23/h2-11,18,21-22,28,32H,12-17H2,1H3
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| InChIKey |
VLQAHAVILYINEC-UHFFFAOYSA-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