General Information of the Compound
| Compound ID |
CP0906145
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| Compound Name |
(R)-N-((S)-4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C28H32N6O3
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| Molecular Weight |
500.603
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@@H](N(C)C)C3)no2)cc1C#N
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| InChI |
InChI=1S/C28H32N6O3/c1-17(2)36-25-11-8-18(14-19(25)15-29)27-31-26(32-37-27)23-7-5-6-22-21(23)9-10-24(22)30-28(35)34-13-12-20(16-34)33(3)4/h5-8,11,14,17,20,24H,9-10,12-13,16H2,1-4H3,(H,30,35)/t20-,24+/m1/s1
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| InChIKey |
VKEBDVQBJATLPO-YKSBVNFPSA-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