General Information of the Compound
| Compound ID |
CP0403859
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| Compound Name |
4-[(3,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
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| Structure |
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| Formula |
C16H21N3O3S
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| Molecular Weight |
335.429
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| Canonical SMILES |
COc1cc(CC2NCCc3nc(N)sc23)cc(OC)c1OC
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| InChI |
InChI=1S/C16H21N3O3S/c1-20-12-7-9(8-13(21-2)14(12)22-3)6-11-15-10(4-5-18-11)19-16(17)23-15/h7-8,11,18H,4-6H2,1-3H3,(H2,17,19)
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| InChIKey |
WCLVWYZGFNFOGA-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