General Information of the Compound
| Compound ID |
CP0429893
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| Compound Name |
3-{4-{2-Amino-6-[4-(3-chloro-phenyl)-piperazin-1-yl]-pyrimidin-4-yloxy}-phenyl}-2-methyl-2-phenoxy-propionic acid
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| Structure |
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| Formula |
C30H30ClN5O4
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| Molecular Weight |
560.054
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| Canonical SMILES |
CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(CC2)c2cccc(Cl)c2)cc1)(Oc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C30H30ClN5O4/c1-30(28(37)38,40-25-8-3-2-4-9-25)20-21-10-12-24(13-11-21)39-27-19-26(33-29(32)34-27)36-16-14-35(15-17-36)23-7-5-6-22(31)18-23/h2-13,18-19H,14-17,20H2,1H3,(H,37,38)(H2,32,33,34)
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| InChIKey |
KYJXLHJLEGGKPV-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