General Information of the Compound
| Compound ID |
CP0505714
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| Compound Name |
3-Fluoro-2-methyl-N-[4-(1,3,4,5-tetrahydro-azepino[4,3,2-cd]indole-6-carbonyl)-phenyl]-benzamide
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| Structure |
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| Formula |
C26H22FN3O2
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| Molecular Weight |
427.479
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| Canonical SMILES |
Cc1c(F)cccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23
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| InChI |
InChI=1S/C26H22FN3O2/c1-16-20(6-2-7-21(16)27)25(31)29-19-12-10-17(11-13-19)26(32)30-14-4-5-18-15-28-22-8-3-9-23(30)24(18)22/h2-3,6-13,15,28H,4-5,14H2,1H3,(H,29,31)
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| InChIKey |
QQSBXPRUMHEDAZ-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