General Information of the Compound
| Compound ID |
CP0422581
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| Compound Name |
5-(2,3-difluorophenyl)-N-(1,1-dioxothian-4-yl)-1H-indazole-3-carboxamide
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| Structure |
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| Formula |
C19H17F2N3O3S
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| Molecular Weight |
405.426
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| Canonical SMILES |
Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCS(=O)(=O)CC4)c3c2)c1F
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| InChI |
InChI=1S/C19H17F2N3O3S/c20-15-3-1-2-13(17(15)21)11-4-5-16-14(10-11)18(24-23-16)19(25)22-12-6-8-28(26,27)9-7-12/h1-5,10,12H,6-9H2,(H,22,25)(H,23,24)
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| InChIKey |
RLUSWBPHYRGQKM-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