General Information of the Compound
| Compound ID |
CP0513840
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| Compound Name |
(S)-2-(5-(3-((2-(4-methoxyphenyl)-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 |
C27H31N3O4
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| Molecular Weight |
461.562
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| Canonical SMILES |
COc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
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| InChI |
InChI=1S/C27H31N3O4/c1-18-17-28-26(19-7-9-22(33-3)10-8-19)29-27(18)30(2)13-4-14-34-23-11-12-24-20(15-23)5-6-21(24)16-25(31)32/h7-12,15,17,21H,4-6,13-14,16H2,1-3H3,(H,31,32)/t21-/m0/s1
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| InChIKey |
OUUVNVUJVNTOHQ-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