General Information of the Compound
| Compound ID |
CP0409490
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| Compound Name |
(S)-2-(5-(3-((5-ethyl-2-(4-ethylphenyl)pyrimidin-4-yl)(methyl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid
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| Structure |
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| Formula |
C29H35N3O3
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| Molecular Weight |
473.617
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| Canonical SMILES |
CCc1ccc(cc1)-c1ncc(CC)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
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| InChI |
InChI=1S/C29H35N3O3/c1-4-20-7-9-22(10-8-20)28-30-19-21(5-2)29(31-28)32(3)15-6-16-35-25-13-14-26-23(17-25)11-12-24(26)18-27(33)34/h7-10,13-14,17,19,24H,4-6,11-12,15-16,18H2,1-3H3,(H,33,34)/t24-/m0/s1
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| InChIKey |
NVYFLRDURLXFRQ-DEOSSOPVSA-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