General Information of the Compound
| Compound ID |
CP0831439
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| Compound Name |
2-(4-(7-methoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-5-methyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
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| Structure |
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
COc1ccc2c(c1)CN(C(=O)c1cnn(-c3nc(C)cc(=O)[nH]3)c1C)CC2
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| InChI |
InChI=1S/C20H21N5O3/c1-12-8-18(26)23-20(22-12)25-13(2)17(10-21-25)19(27)24-7-6-14-4-5-16(28-3)9-15(14)11-24/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23,26)
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| InChIKey |
FPGGVMOAXMSSDT-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