General Information of the Compound
| Compound ID |
CP0406252
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| Compound Name |
4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)-3-(hydroxymethyl)phenol
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| Structure |
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| Formula |
C27H30N4O4S
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| Molecular Weight |
506.628
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| Canonical SMILES |
OCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
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| InChI |
InChI=1S/C27H30N4O4S/c32-14-19-12-21(33)6-7-24(19)35-15-22(34)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20,22,28,32-34H,8-11,13-15H2
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| InChIKey |
HEXJTFCXRZMDNT-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