General Information of the Compound
| Compound ID |
CP0421878
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| Compound Name |
(S)-2-(5-(3-((2-(4-tert-butylphenyl)-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 |
C30H37N3O3
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| Molecular Weight |
487.644
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| Canonical SMILES |
CN(CCCOc1ccc2[C@H](CC(O)=O)CCc2c1)c1nc(ncc1C)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C30H37N3O3/c1-20-19-31-28(21-9-11-24(12-10-21)30(2,3)4)32-29(20)33(5)15-6-16-36-25-13-14-26-22(17-25)7-8-23(26)18-27(34)35/h9-14,17,19,23H,6-8,15-16,18H2,1-5H3,(H,34,35)/t23-/m0/s1
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| InChIKey |
YYSQBOCFMKFZAV-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