General Information of the Compound
| Compound ID |
CP0167328
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| Compound Name |
1-methyl-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 |
C30H34N6OS
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| Molecular Weight |
526.71
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| Canonical SMILES |
CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21)C(=O)Nc1cccc(C)c1
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| InChI |
InChI=1S/C30H34N6OS/c1-20-5-4-6-23(15-20)31-30(37)35(3)19-24-8-10-27(38-24)29-26-17-22-16-21(7-9-25(22)28(26)32-33-29)18-36-13-11-34(2)12-14-36/h4-10,15-16H,11-14,17-19H2,1-3H3,(H,31,37)(H,32,33)
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| InChIKey |
HGFXSKQDBRUULO-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