General Information of the Compound
| Compound ID |
CP0513839
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| Compound Name |
(S)-2-(5-(3-((2-(4-acetylphenyl)-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 |
C28H31N3O4
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| Molecular Weight |
473.573
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| Canonical SMILES |
CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C28H31N3O4/c1-18-17-29-27(21-7-5-20(6-8-21)19(2)32)30-28(18)31(3)13-4-14-35-24-11-12-25-22(15-24)9-10-23(25)16-26(33)34/h5-8,11-12,15,17,23H,4,9-10,13-14,16H2,1-3H3,(H,33,34)/t23-/m0/s1
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| InChIKey |
FDRDRHHYFPKVJS-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