General Information of the Compound
| Compound ID |
CP0462186
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| Compound Name |
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-4-(dimethylamino)butan-1-one
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| Structure |
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| Formula |
C22H23F2N3O2S
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| Molecular Weight |
431.508
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| Canonical SMILES |
CN(C)CCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F
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| InChI |
InChI=1S/C22H23F2N3O2S/c1-26(2)12-5-8-20(28)27-22(11-13-29-19-7-4-3-6-17(19)22)30-21(25-27)16-14-15(23)9-10-18(16)24/h3-4,6-7,9-10,14H,5,8,11-13H2,1-2H3
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| InChIKey |
CIJIDZKZWPURHK-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