General Information of the Compound
| Compound ID |
CP0967390
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| Compound Name |
(R)-2-(1-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylcarbamoyl)piperidin-4-yl)acetic acid
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| Structure |
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| Formula |
C29H31N5O5
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| Molecular Weight |
529.597
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(CC(=O)O)CC3)no2)cc1C#N
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| InChI |
InChI=1S/C29H31N5O5/c1-17(2)38-25-9-6-19(15-20(25)16-30)28-32-27(33-39-28)23-5-3-4-22-21(23)7-8-24(22)31-29(37)34-12-10-18(11-13-34)14-26(35)36/h3-6,9,15,17-18,24H,7-8,10-14H2,1-2H3,(H,31,37)(H,35,36)/t24-/m1/s1
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| InChIKey |
XUETWTBYDZXSEW-XMMPIXPASA-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