General Information of the Compound
| Compound ID |
CP0186693
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| Compound Name |
3-(3-fluoro-5-(trifluoromethyl)phenyl)-1-methyl-1-((5-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)thiophen-2-yl)methyl)urea
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| Structure |
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| Formula |
C30H30F4N6OS
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| Molecular Weight |
598.67
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| Canonical SMILES |
CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H30F4N6OS/c1-38-7-9-40(10-8-38)16-18-3-5-24-19(11-18)12-25-27(24)36-37-28(25)26-6-4-23(42-26)17-39(2)29(41)35-22-14-20(30(32,33)34)13-21(31)15-22/h3-6,11,13-15H,7-10,12,16-17H2,1-2H3,(H,35,41)(H,36,37)
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| InChIKey |
SLZDAHQKZCFNCA-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