General Information of the Compound
| Compound ID |
CP0378400
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| Compound Name |
(R)-2-(4-(2-ethylthiazol-4-yl)phenethylamino)-1-(pyridin-3-yl)ethanol
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| Structure |
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| Formula |
C20H23N3OS
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| Molecular Weight |
353.491
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| Canonical SMILES |
CCc1nc(cs1)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C20H23N3OS/c1-2-20-23-18(14-25-20)16-7-5-15(6-8-16)9-11-22-13-19(24)17-4-3-10-21-12-17/h3-8,10,12,14,19,22,24H,2,9,11,13H2,1H3/t19-/m0/s1
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| InChIKey |
UBPWFWBINBFSQP-IBGZPJMESA-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