General Information of the Compound
| Compound ID |
CP0502116
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| Compound Name |
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-meta-tolylpyridin-2(1H)-one
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| Structure |
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| Formula |
C25H26N4O
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| Molecular Weight |
398.51
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| Canonical SMILES |
Cc1cccc(c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
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| InChI |
InChI=1S/C25H26N4O/c1-19-5-4-6-20(15-19)21-9-12-28(25(30)17-21)23-7-8-24-22(16-23)18-26-29(24)14-13-27-10-2-3-11-27/h4-9,12,15-18H,2-3,10-11,13-14H2,1H3
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| InChIKey |
UKXJAMQXIPOPOZ-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