General Information of the Compound
| Compound ID |
CP0264690
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| Compound Name |
(2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(3-(furan-2-yl)thiophen-2-yl)ethoxy)pyrimidin-4-yl) phenyl)propanoic acid
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| Structure |
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| Formula |
C23H19F3N4O4S
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| Molecular Weight |
504.49
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| Canonical SMILES |
N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2sccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O
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| InChI |
InChI=1S/C23H19F3N4O4S/c24-23(25,26)20(19-14(7-9-35-19)17-2-1-8-33-17)34-18-11-16(29-22(28)30-18)13-5-3-12(4-6-13)10-15(27)21(31)32/h1-9,11,15,20H,10,27H2,(H,31,32)(H2,28,29,30)/t15-,20?/m0/s1
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| InChIKey |
MCBFYQXJYBEXHO-OOJLDXBWSA-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: PT06573, Tryptophan 5-hydroxylase 1
Protein ID: PT07050, Tryptophan 5-hydroxylase 2