General Information of the Compound
| Compound ID |
CP0255323
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| Compound Name |
1-cyclopropyl-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 |
C32H36N6OS
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| Molecular Weight |
552.748
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| Canonical SMILES |
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(CN(C4CC4)C(=O)Nc4cccc(C)c4)s3)c2)CC1
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| InChI |
InChI=1S/C32H36N6OS/c1-21-4-3-5-24(16-21)33-32(39)38(25-7-8-25)20-26-9-11-29(40-26)31-28-18-23-17-22(6-10-27(23)30(28)34-35-31)19-37-14-12-36(2)13-15-37/h3-6,9-11,16-17,25H,7-8,12-15,18-20H2,1-2H3,(H,33,39)(H,34,35)
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| InChIKey |
SFCSGFUQASTWES-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