General Information of the Compound
| Compound ID |
CP0578735
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| Compound Name |
4-fluoro-7-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C21H23FN4O
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| Molecular Weight |
366.44
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| Canonical SMILES |
CN1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1
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| InChI |
InChI=1S/C21H23FN4O/c1-14-6-7-18(22)17-13-19(24-20(14)17)21(27)23-15-4-3-5-16(12-15)26-10-8-25(2)9-11-26/h3-7,12-13,24H,8-11H2,1-2H3,(H,23,27)
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| InChIKey |
IBXRCCXTOFWDKG-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