General Information of the Compound
| Compound ID |
CP0761055
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| Compound Name |
6-methyl-2-(5-methyl-4-(7-(morpholinosulfonyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-1-yl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C23H26N6O5S
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| Molecular Weight |
498.565
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| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCc4ccc(S(=O)(=O)N5CCOCC5)cc4C3)c2C)n1
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| InChI |
InChI=1S/C23H26N6O5S/c1-15-11-21(30)26-23(25-15)29-16(2)20(13-24-29)22(31)27-6-5-17-3-4-19(12-18(17)14-27)35(32,33)28-7-9-34-10-8-28/h3-4,11-13H,5-10,14H2,1-2H3,(H,25,26,30)
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| InChIKey |
SVPDADLTOQURRI-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