General Information of the Compound
| Compound ID |
CP0031036
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| Compound Name |
1-(4-fluorophenyl)-N-[1-(2-methylsulfonylpyridin-4-yl)cyclopropyl]pyrazolo[3,4-c]pyridine-4-carboxamide
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| Structure |
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| Formula |
C22H18FN5O3S
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| Molecular Weight |
451.483
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| Canonical SMILES |
CS(=O)(=O)c1cc(ccn1)C1(CC1)NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)
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| InChIKey |
PXQATVYJKMMHAU-UHFFFAOYSA-N
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| CAS |
1295298-26-8
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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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