General Information of the Compound
| Compound ID |
CP0307813
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| Compound Name |
(2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(naphthalen-2-yl)ethoxy)pyrimidin-4-yl)phenyl)propanoic acid
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| Structure |
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| Formula |
C25H21F3N4O3
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| Molecular Weight |
482.462
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| Canonical SMILES |
N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccc3ccccc3c2)C(F)(F)F)nc(N)n1)C(O)=O
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| InChI |
InChI=1S/C25H21F3N4O3/c26-25(27,28)22(18-10-9-15-3-1-2-4-17(15)12-18)35-21-13-20(31-24(30)32-21)16-7-5-14(6-8-16)11-19(29)23(33)34/h1-10,12-13,19,22H,11,29H2,(H,33,34)(H2,30,31,32)/t19-,22?/m0/s1
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| InChIKey |
UWSJNTAQMVFLHD-YDNXMHBPSA-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