General Information of the Compound
| Compound ID |
CP0522383
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| Compound Name |
(S)-2-(5-(3-((2-(4-ethylphenyl)-6-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 |
C28H33N3O3
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| Molecular Weight |
459.59
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| Canonical SMILES |
CCc1ccc(cc1)-c1nc(C)cc(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
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| InChI |
InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)28-29-19(2)16-26(30-28)31(3)14-5-15-34-24-12-13-25-22(17-24)10-11-23(25)18-27(32)33/h6-9,12-13,16-17,23H,4-5,10-11,14-15,18H2,1-3H3,(H,32,33)/t23-/m0/s1
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| InChIKey |
VWFWVFILCXWTPJ-QHCPKHFHSA-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