General Information of the Compound
| Compound ID |
CP0521423
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| Compound Name |
4-(1-methyl-1H-indol-2-yl)-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 |
C27H27N5O
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| Molecular Weight |
437.547
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| Canonical SMILES |
Cn1c(cc2ccccc12)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
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| InChI |
InChI=1S/C27H27N5O/c1-29-24-7-3-2-6-20(24)17-26(29)21-10-13-31(27(33)18-21)23-8-9-25-22(16-23)19-28-32(25)15-14-30-11-4-5-12-30/h2-3,6-10,13,16-19H,4-5,11-12,14-15H2,1H3
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| InChIKey |
GLGQNFSNYLNWLS-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