General Information of the Compound
| Compound ID |
CP0541971
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| Compound Name |
4-fluoro-N-[(1R,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]cyclohexyl]benzamide
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| Structure |
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| Formula |
C23H26FN3O
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| Molecular Weight |
379.479
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| Canonical SMILES |
CN(Cc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H26FN3O/c1-27(15-17-14-25-20-7-3-2-6-19(17)20)22-9-5-4-8-21(22)26-23(28)16-10-12-18(24)13-11-16/h2-3,6-7,10-14,21-22,25H,4-5,8-9,15H2,1H3,(H,26,28)/t21-,22+/m1/s1
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| InChIKey |
NQJLIIKYIRJCHR-YADHBBJMSA-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