General Information of the Compound
| Compound ID |
CP0553023
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| Compound Name |
2-((S)-5-(3-((2-(3-ethoxyphenyl)-5-methylpyrimidin-4-yl)(methyl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
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| Structure |
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
CCOc1cccc(c1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
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| InChI |
InChI=1S/C28H33N3O4/c1-4-34-23-8-5-7-22(16-23)27-29-18-19(2)28(30-27)31(3)13-6-14-35-24-11-12-25-20(15-24)9-10-21(25)17-26(32)33/h5,7-8,11-12,15-16,18,21H,4,6,9-10,13-14,17H2,1-3H3,(H,32,33)/t21-/m0/s1
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| InChIKey |
VFJSMSWYOCOPEN-NRFANRHFSA-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