General Information of the Compound
| Compound ID |
CP0504990
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| Compound Name |
(S)-2-(5-(3-((2-(4-chlorophenyl)-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 |
C26H28ClN3O3
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| Molecular Weight |
465.981
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| Canonical SMILES |
CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H28ClN3O3/c1-17-16-28-25(18-6-8-21(27)9-7-18)29-26(17)30(2)12-3-13-33-22-10-11-23-19(14-22)4-5-20(23)15-24(31)32/h6-11,14,16,20H,3-5,12-13,15H2,1-2H3,(H,31,32)/t20-/m0/s1
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| InChIKey |
FOAUKKBPDSSNHX-FQEVSTJZSA-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