General Information of the Compound
| Compound ID |
CP0374199
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| Compound Name |
1-(3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenyl)urea
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| Structure |
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| Formula |
C27H30N6O3S
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| Molecular Weight |
518.643
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| Canonical SMILES |
NC(=O)Nc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
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| InChI |
InChI=1S/C27H30N6O3S/c28-27(35)32-20-7-4-8-22(13-20)36-15-21(34)14-29-19-9-11-33(12-10-19)25-24-23(18-5-2-1-3-6-18)16-37-26(24)31-17-30-25/h1-8,13,16-17,19,21,29,34H,9-12,14-15H2,(H3,28,32,35)
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| InChIKey |
GQRHTJLEIISGKP-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