General Information of the Compound
| Compound ID |
CP0966788
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| Compound Name |
2-((R)-4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylpropanamide
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| Structure |
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| Formula |
C26H29N5O3
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| Molecular Weight |
459.55
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(C)C(=O)N(C)C)no2)cc1C#N
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| InChI |
InChI=1S/C26H29N5O3/c1-15(2)33-23-12-9-17(13-18(23)14-27)25-29-24(30-34-25)21-8-6-7-20-19(21)10-11-22(20)28-16(3)26(32)31(4)5/h6-9,12-13,15-16,22,28H,10-11H2,1-5H3/t16?,22-/m1/s1
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| InChIKey |
KGXIOZBJFMDIID-VXNXSFHZSA-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