General Information of the Compound
| Compound ID |
CP0513837
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| Compound Name |
(S)-2-(5-(3-(methyl(5-methyl-2-phenylpyrimidin-4-yl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccccc1
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| InChI |
InChI=1S/C26H29N3O3/c1-18-17-27-25(19-7-4-3-5-8-19)28-26(18)29(2)13-6-14-32-22-11-12-23-20(15-22)9-10-21(23)16-24(30)31/h3-5,7-8,11-12,15,17,21H,6,9-10,13-14,16H2,1-2H3,(H,30,31)/t21-/m0/s1
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| InChIKey |
QFZLLDMULSULLN-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