General Information of the Compound
| Compound ID |
CP0504564
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| Compound Name |
4-(2-chloro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C25H25ClN4O2
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| Molecular Weight |
448.954
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| Canonical SMILES |
COc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
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| InChI |
InChI=1S/C25H25ClN4O2/c1-32-21-5-6-22(23(26)16-21)18-8-11-29(25(31)15-18)20-4-7-24-19(14-20)17-27-30(24)13-12-28-9-2-3-10-28/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3
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| InChIKey |
GVLBQWMWVVSINT-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