General Information of the Compound
| Compound ID |
CP0352622
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| Compound Name |
6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-phenoxyprop-1-ynyl)thiophen-2 -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-c3ccc(s3)C#CCOc3ccccc3)c2)CC1
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| InChI |
InChI=1S/C29H28N4OS/c1-32-13-15-33(16-14-32)20-21-9-11-25-22(18-21)19-26-28(25)30-31-29(26)27-12-10-24(35-27)8-5-17-34-23-6-3-2-4-7-23/h2-4,6-7,9-12,18H,13-17,19-20H2,1H3,(H,30,31)
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| InChIKey |
WYZQHQXTFISUNC-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