General Information of the Compound
| Compound ID |
CP0412818
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| Compound Name |
N-(4-cyanophenyl)-N'-(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3-methylpentanediamide
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
CCn1c2CCCCc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(cc3)C#N)ccc12
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| InChI |
InChI=1S/C27H30N4O2/c1-3-31-24-7-5-4-6-22(24)23-16-21(12-13-25(23)31)30-27(33)15-18(2)14-26(32)29-20-10-8-19(17-28)9-11-20/h8-13,16,18H,3-7,14-15H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
AZPXWWHSXJPJEE-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