General Information of the Compound
| Compound ID |
CP0578225
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| Compound Name |
N-[3-(4-acetylpiperazin-1-yl)-5-fluorophenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C22H22F2N4O2
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| Molecular Weight |
412.44
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| Canonical SMILES |
CC(=O)N1CCN(CC1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1
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| InChI |
InChI=1S/C22H22F2N4O2/c1-13-3-4-19(24)18-12-20(26-21(13)18)22(30)25-16-9-15(23)10-17(11-16)28-7-5-27(6-8-28)14(2)29/h3-4,9-12,26H,5-8H2,1-2H3,(H,25,30)
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| InChIKey |
DTKJRMMWEXPPEW-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