General Information of the Compound
| Compound ID |
CP0531229
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| Compound Name |
N-[5-methyl-2-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]phenyl]-4-oxochromene-2-carboxamide
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| Formula |
C25H25N5O3
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| Molecular Weight |
443.507
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| Canonical SMILES |
Cc1ccc(-c2cn(CCN3CCCC3)nn2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1
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| InChI |
InChI=1S/C25H25N5O3/c1-17-8-9-18(21-16-30(28-27-21)13-12-29-10-4-5-11-29)20(14-17)26-25(32)24-15-22(31)19-6-2-3-7-23(19)33-24/h2-3,6-9,14-16H,4-5,10-13H2,1H3,(H,26,32)
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| InChIKey |
SARNNVTUWBERKH-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