General Information of the Compound
| Compound ID |
CP0557981
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| Compound Name |
N-(4-cyanophenyl)-3-methyl-N'-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pentanediamide
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| Structure |
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| Formula |
C25H26N4O2
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| Molecular Weight |
414.509
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| Canonical SMILES |
CC(CC(=O)Nc1ccc(cc1)C#N)CC(=O)Nc1ccc2[nH]c3CCCCc3c2c1
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| InChI |
InChI=1S/C25H26N4O2/c1-16(12-24(30)27-18-8-6-17(15-26)7-9-18)13-25(31)28-19-10-11-23-21(14-19)20-4-2-3-5-22(20)29-23/h6-11,14,16,29H,2-5,12-13H2,1H3,(H,27,30)(H,28,31)
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| InChIKey |
VJKYAYGALXPDNN-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