General Information of the Compound
| Compound ID |
CP0869052
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| Compound Name |
5-isopropoxy-3-(2-(4-(methylsulfonyl)piperazin-1-yl)pyridin-4-yl)-1H-indazole
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| Structure |
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| Formula |
C20H25N5O3S
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| Molecular Weight |
415.519
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| Canonical SMILES |
CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCN(S(C)(=O)=O)CC4)c3)c2c1
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| InChI |
InChI=1S/C20H25N5O3S/c1-14(2)28-16-4-5-18-17(13-16)20(23-22-18)15-6-7-21-19(12-15)24-8-10-25(11-9-24)29(3,26)27/h4-7,12-14H,8-11H2,1-3H3,(H,22,23)
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| InChIKey |
HJDKAQTXEXFQQG-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