General Information of the Compound
| Compound ID |
CP0892598
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| Compound Name |
N1-(4-Chloro-3-(trifluoromethyl)phenyl)-N3-(3-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-indazol-6-yl)malonamide
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| Structure |
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| Formula |
C29H28ClF3N6O2
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| Molecular Weight |
585.03
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| Canonical SMILES |
CN1CCN(Cc2ccc(-c3n[nH]c4cc(NC(=O)CC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)ccc34)cc2)CC1
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| InChI |
InChI=1S/C29H28ClF3N6O2/c1-38-10-12-39(13-11-38)17-18-2-4-19(5-3-18)28-22-8-6-21(15-25(22)36-37-28)35-27(41)16-26(40)34-20-7-9-24(30)23(14-20)29(31,32)33/h2-9,14-15H,10-13,16-17H2,1H3,(H,34,40)(H,35,41)(H,36,37)
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| InChIKey |
BMDJGXPSODGOTM-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