General Information of the Compound
| Compound ID |
CP0344579
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| Compound Name |
(2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(2-(furan-2-yl)phenyl)ethoxy)pyrimidin-4-yl)phenyl)propanoic acid
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| Structure |
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| Formula |
C25H21F3N4O4
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| Molecular Weight |
498.461
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| Canonical SMILES |
N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O
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| InChI |
InChI=1S/C25H21F3N4O4/c26-25(27,28)22(17-5-2-1-4-16(17)20-6-3-11-35-20)36-21-13-19(31-24(30)32-21)15-9-7-14(8-10-15)12-18(29)23(33)34/h1-11,13,18,22H,12,29H2,(H,33,34)(H2,30,31,32)/t18-,22?/m0/s1
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| InChIKey |
FSCFHAGDJFDLFG-HXBUSHRASA-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