General Information of the Compound
| Compound ID |
CP0949776
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| Compound Name |
(R)-N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-2-morpholino-2-oxoethanesulfonamide
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| Structure |
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| Formula |
C27H29N5O6S
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| Molecular Weight |
551.625
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CC(=O)N3CCOCC3)no2)cc1C#N
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| InChI |
InChI=1S/C27H29N5O6S/c1-17(2)37-24-9-6-18(14-19(24)15-28)27-29-26(30-38-27)22-5-3-4-21-20(22)7-8-23(21)31-39(34,35)16-25(33)32-10-12-36-13-11-32/h3-6,9,14,17,23,31H,7-8,10-13,16H2,1-2H3/t23-/m1/s1
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| InChIKey |
BMLBHHSWOFBGAG-HSZRJFAPSA-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