General Information of the Compound
| Compound ID |
CP0215864
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| Compound Name |
1-((5-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)thiophen-2-yl)methyl)-3-m-tolylurea
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| Structure |
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| Formula |
C29H32N6OS
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| Molecular Weight |
512.683
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| Canonical SMILES |
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(CNC(=O)Nc4cccc(C)c4)s3)c2)CC1
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| InChI |
InChI=1S/C29H32N6OS/c1-19-4-3-5-22(14-19)31-29(36)30-17-23-7-9-26(37-23)28-25-16-21-15-20(6-8-24(21)27(25)32-33-28)18-35-12-10-34(2)11-13-35/h3-9,14-15H,10-13,16-18H2,1-2H3,(H,32,33)(H2,30,31,36)
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| InChIKey |
JBIAJPDELARJKZ-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