General Information of the Compound
| Compound ID |
CP0214308
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| Compound Name |
(S)-2-amino-3-(4-(2-amino-6-((R)-1-(naphthalen-2-yl)ethylamino)pyrimidin-4-yl)phenyl)propanoic acid
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
C[C@@H](Nc1cc(nc(N)n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C25H25N5O2/c1-15(19-11-10-17-4-2-3-5-20(17)13-19)28-23-14-22(29-25(27)30-23)18-8-6-16(7-9-18)12-21(26)24(31)32/h2-11,13-15,21H,12,26H2,1H3,(H,31,32)(H3,27,28,29,30)/t15-,21+/m1/s1
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| InChIKey |
JMYNJBLTMDPNKZ-VFNWGFHPSA-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