General Information of the Compound
| Compound ID |
CP0439276
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| Compound Name |
3-{4-[2-Amino-6-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrimidin-4-yloxy]-phenyl}-2-methyl-2-phenoxy-propionic acid
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| Structure |
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| Formula |
C28H29N7O4
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| Molecular Weight |
527.585
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| Canonical SMILES |
CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(CC2)c2ncccn2)cc1)(Oc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C28H29N7O4/c1-28(25(36)37,39-22-6-3-2-4-7-22)19-20-8-10-21(11-9-20)38-24-18-23(32-26(29)33-24)34-14-16-35(17-15-34)27-30-12-5-13-31-27/h2-13,18H,14-17,19H2,1H3,(H,36,37)(H2,29,32,33)
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| InChIKey |
BNHDABHPDDHZAL-UHFFFAOYSA-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma