General Information of the Compound
| Compound ID |
CP0826362
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| Compound Name |
4-fluoro-7-methyl-N-((1R,3S)-3-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C21H27FN4O2
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| Molecular Weight |
386.471
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| Canonical SMILES |
Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CCN(C)C(=O)C4)C3)[nH]c12
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| InChI |
InChI=1S/C21H27FN4O2/c1-13-6-7-17(22)16-11-18(24-20(13)16)21(28)23-14-4-3-5-15(10-14)26-9-8-25(2)19(27)12-26/h6-7,11,14-15,24H,3-5,8-10,12H2,1-2H3,(H,23,28)/t14-,15+/m1/s1
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| InChIKey |
GBMLPFXWTFXSER-CABCVRRESA-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