General Information of the Compound
| Compound ID |
CP0377227
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| Compound Name |
3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)benzonitrile
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| Structure |
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| Formula |
C27H27N5O2S
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| Molecular Weight |
485.613
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| Canonical SMILES |
OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(c1)C#N
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| InChI |
InChI=1S/C27H27N5O2S/c28-14-19-5-4-8-23(13-19)34-16-22(33)15-29-21-9-11-32(12-10-21)26-25-24(20-6-2-1-3-7-20)17-35-27(25)31-18-30-26/h1-8,13,17-18,21-22,29,33H,9-12,15-16H2
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| InChIKey |
YTDOMMMKOKIYBM-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