General Information of the Compound
| Compound ID |
CP0412566
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| Compound Name |
[1-(1H-indazol-6-ylsulfonyl)azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C20H22N6O3S
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| Molecular Weight |
426.502
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| Canonical SMILES |
O=C(C1CN(C1)S(=O)(=O)c1ccc2cn[nH]c2c1)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C20H22N6O3S/c27-20(25-9-7-24(8-10-25)17-3-5-21-6-4-17)16-13-26(14-16)30(28,29)18-2-1-15-12-22-23-19(15)11-18/h1-6,11-12,16H,7-10,13-14H2,(H,22,23)
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| InChIKey |
FBXGALDKFKRWDU-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