General Information of the Compound
| Compound ID |
CP0404977
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| Compound Name |
3-{4-[2-Amino-6-(4-(naphthalen-1-ylmethyl)-piperazin-1-yl)-pyrimidin-4-yloxy]-phenyl}-2-methyl-2-phenoxypropionic acid
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| Structure |
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| Formula |
C35H35N5O4
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| Molecular Weight |
589.696
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| Canonical SMILES |
CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(Cc3cccc4ccccc34)CC2)cc1)(Oc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C35H35N5O4/c1-35(33(41)42,44-29-11-3-2-4-12-29)23-25-14-16-28(17-15-25)43-32-22-31(37-34(36)38-32)40-20-18-39(19-21-40)24-27-10-7-9-26-8-5-6-13-30(26)27/h2-17,22H,18-21,23-24H2,1H3,(H,41,42)(H2,36,37,38)
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| InChIKey |
RQJLZUFGGONNPD-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