General Information of the Compound
| Compound ID |
CP0527184
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| Compound Name |
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethoxy)phenyl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C25H23F3N4O2
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| Molecular Weight |
468.479
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
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| InChI |
InChI=1S/C25H23F3N4O2/c26-25(27,28)34-22-6-3-18(4-7-22)19-9-12-31(24(33)16-19)21-5-8-23-20(15-21)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2
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| InChIKey |
VDVLWPLCWZWLLF-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