General Information of the Compound
| Compound ID |
CP0852162
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| Compound Name |
5-(3-((R)-1-(2-((R)-3-hydroxypyrrolidin-1-yl)-2-oxoethylamino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile
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| Structure |
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| Formula |
C27H29N5O4
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| Molecular Weight |
487.56
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@@H](O)C3)no2)cc1C#N
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| InChI |
InChI=1S/C27H29N5O4/c1-16(2)35-24-9-6-17(12-18(24)13-28)27-30-26(31-36-27)22-5-3-4-21-20(22)7-8-23(21)29-14-25(34)32-11-10-19(33)15-32/h3-6,9,12,16,19,23,29,33H,7-8,10-11,14-15H2,1-2H3/t19-,23-/m1/s1
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| InChIKey |
KQXOGRUVHYXXAQ-AUSIDOKSSA-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