General Information of the Compound
| Compound ID |
CP0090916
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| Compound Name |
6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)phenoxy)-1H-pyrazolo[3,4-b]pyridine
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| Structure |
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| Formula |
C21H17N5O3S
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| Molecular Weight |
419.466
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| Canonical SMILES |
Cn1ncc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(nc12)-c1cccc2[nH]ncc12
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| InChI |
InChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25)
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| InChIKey |
DSBJBOOMYLWTSO-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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