General Information of the Compound
| Compound ID |
CP0946730
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| Compound Name |
(R)-2-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)-N-(2-hydroxyethyl)acetamide
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| Structure |
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| Formula |
C25H27N5O4
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| Molecular Weight |
461.522
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)NCCO)no2)cc1C#N
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| InChI |
InChI=1S/C25H27N5O4/c1-15(2)33-22-9-6-16(12-17(22)13-26)25-29-24(30-34-25)20-5-3-4-19-18(20)7-8-21(19)28-14-23(32)27-10-11-31/h3-6,9,12,15,21,28,31H,7-8,10-11,14H2,1-2H3,(H,27,32)/t21-/m1/s1
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| InChIKey |
STUIFOBOGFZIAO-OAQYLSRUSA-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