General Information of the Compound
| Compound ID |
CP0021159
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| Compound Name |
6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-dihydroindeno[1,2-c]pyrazole
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| Structure |
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| Formula |
C29H28N4OS
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| Molecular Weight |
480.637
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| Canonical SMILES |
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
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| InChI |
InChI=1S/C29H28N4OS/c1-32-11-13-33(14-12-32)19-21-9-10-26-22(16-21)18-27-28(30-31-29(26)27)23-17-25(35-20-23)8-5-15-34-24-6-3-2-4-7-24/h2-4,6-7,9-10,16-17,20H,11-15,18-19H2,1H3,(H,30,31)
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| InChIKey |
JPKSISIJPSXDLA-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