General Information of the Compound
| Compound ID |
CP0179895
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| Compound Name |
1-((5-(7-((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(Cc2ccc3Cc4c(n[nH]c4-c4ccc(CNC(=O)Nc5cccc(C)c5)s4)-c3c2)CC1
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| InChI |
InChI=1S/C29H32N6OS/c1-19-4-3-5-22(14-19)31-29(36)30-17-23-8-9-26(37-23)28-25-16-21-7-6-20(15-24(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 |
XXYYDISQRRATPH-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