General Information of the Compound
| Compound ID |
CP0963924
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| Compound Name |
3-(2-((3R,4R)-3,4-difluoropyrrolidin-1-yl)pyridin-4-yl)-5-isopropoxy-1H-indazole
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| Structure |
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| Formula |
C19H20F2N4O
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| Molecular Weight |
358.392
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| Canonical SMILES |
CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4C[C@@H](F)[C@H](F)C4)c3)c2c1
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| InChI |
InChI=1S/C19H20F2N4O/c1-11(2)26-13-3-4-17-14(8-13)19(24-23-17)12-5-6-22-18(7-12)25-9-15(20)16(21)10-25/h3-8,11,15-16H,9-10H2,1-2H3,(H,23,24)/t15-,16-/m1/s1
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| InChIKey |
PMQVEEZRJCKTIY-HZPDHXFCSA-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