General Information of the Compound
| Compound ID |
CP0245845
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[[(1R,2R)-2-propan-2-ylcyclopentyl]amino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C17H24N2O3S
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| Molecular Weight |
336.457
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| Canonical SMILES |
CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C17H24N2O3S/c1-9(2)10-4-3-5-12(10)18-8-14(21)11-6-7-13(20)15-16(11)23-17(22)19-15/h6-7,9-10,12,14,18,20-21H,3-5,8H2,1-2H3,(H,19,22)/t10-,12-,14+/m1/s1
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| InChIKey |
PFGBBCQUFOGHGT-QKCSRTOESA-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: PT00943, D(3) dopamine receptor