General Information of the Compound
| Compound ID |
CP0949780
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| Compound Name |
(S)-N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-4-(dimethylamino)piperidine-1-carboxamide
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| Structure |
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| Formula |
C29H34N6O3
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| Molecular Weight |
514.63
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(N(C)C)CC3)no2)cc1C#N
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| InChI |
InChI=1S/C29H34N6O3/c1-18(2)37-26-11-8-19(16-20(26)17-30)28-32-27(33-38-28)24-7-5-6-23-22(24)9-10-25(23)31-29(36)35-14-12-21(13-15-35)34(3)4/h5-8,11,16,18,21,25H,9-10,12-15H2,1-4H3,(H,31,36)/t25-/m0/s1
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| InChIKey |
GERMNTVMEBHJCQ-VWLOTQADSA-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