General Information of the Compound
| Compound ID |
CP0546042
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| Compound Name |
(2S)-2-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]-3-(4-hydroxyphenyl)propanoic acid
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| Structure |
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| Formula |
C19H21N5O3
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| Molecular Weight |
367.409
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1nc(C)cc(N[C@@H](Cc2ccc(O)cc2)C(O)=O)n1
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| InChI |
InChI=1S/C19H21N5O3/c1-11-9-17(22-19(20-11)24-13(3)8-12(2)23-24)21-16(18(26)27)10-14-4-6-15(25)7-5-14/h4-9,16,25H,10H2,1-3H3,(H,26,27)(H,20,21,22)/t16-/m0/s1
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| InChIKey |
YBDTUMCYWVGLIK-INIZCTEOSA-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