General Information of the Compound
| Compound ID |
CP0215867
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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)-1-propyl-3-m-tolylurea
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| Structure |
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| Formula |
C32H38N6OS
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| Molecular Weight |
554.764
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| Canonical SMILES |
CCCN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21)C(=O)Nc1cccc(C)c1
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| InChI |
InChI=1S/C32H38N6OS/c1-4-12-38(32(39)33-25-7-5-6-22(2)17-25)21-26-9-11-29(40-26)31-28-19-24-18-23(8-10-27(24)30(28)34-35-31)20-37-15-13-36(3)14-16-37/h5-11,17-18H,4,12-16,19-21H2,1-3H3,(H,33,39)(H,34,35)
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| InChIKey |
IQDKZLHBQUEUDC-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