General Information of the Compound
| Compound ID |
CP0179927
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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-(3-(trifluoromethoxy)phenyl)urea
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| Structure |
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| Formula |
C30H31F3N6O2S
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| Molecular Weight |
596.679
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| Canonical SMILES |
CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21)C(=O)Nc1cccc(OC(F)(F)F)c1
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| InChI |
InChI=1S/C30H31F3N6O2S/c1-37-10-12-39(13-11-37)17-19-6-8-24-20(14-19)15-25-27(24)35-36-28(25)26-9-7-23(42-26)18-38(2)29(40)34-21-4-3-5-22(16-21)41-30(31,32)33/h3-9,14,16H,10-13,15,17-18H2,1-2H3,(H,34,40)(H,35,36)
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| InChIKey |
HIFPXVLZYKQXID-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