General Information of the Compound
| Compound ID |
CP0504727
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| Compound Name |
3-methyl-1-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[2,3-c]pyrazole-5-carboxamide
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| Structure |
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| Formula |
C24H27N7OS
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| Molecular Weight |
461.595
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| Canonical SMILES |
CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
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| InChI |
InChI=1S/C24H27N7OS/c1-17(16-29-11-13-30(14-12-29)24-25-9-6-10-26-24)27-22(32)21-15-20-18(2)28-31(23(20)33-21)19-7-4-3-5-8-19/h3-10,15,17H,11-14,16H2,1-2H3,(H,27,32)
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| InChIKey |
XXVLAXRNSXALSX-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