General Information of the Compound
| Compound ID |
CP0308557
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| Compound Name |
3-[1-(3-hydroxypropyl)-1H-isoindol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C24H26N4O2S
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| Molecular Weight |
434.565
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2C(CCCO)N=Cc2c1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C24H26N4O2S/c1-24(2,22(30)27-23-28-26-15-31-23)21(16-7-4-3-5-8-16)17-10-11-19-18(13-17)14-25-20(19)9-6-12-29/h3-5,7-8,10-11,13-15,20-21,29H,6,9,12H2,1-2H3,(H,27,28,30)
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| InChIKey |
IFAUSAHPYXLUAK-UHFFFAOYSA-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