General Information of the Compound
| Compound ID |
CP0384329
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| Compound Name |
(1R)-2-(4-(2-(pyridin-3-yl)thiazol-4-yl)phenethylamino)-1-(pyridin-3-yl)ethanol
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| Structure |
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| Formula |
C23H22N4OS
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| Molecular Weight |
402.523
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(cc1)-c1csc(n1)-c1cccnc1)c1cccnc1
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| InChI |
InChI=1S/C23H22N4OS/c28-22(19-3-1-10-24-13-19)15-26-12-9-17-5-7-18(8-6-17)21-16-29-23(27-21)20-4-2-11-25-14-20/h1-8,10-11,13-14,16,22,26,28H,9,12,15H2/t22-/m0/s1
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| InChIKey |
GZIZHOPNLLEEEV-QFIPXVFZSA-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