General Information of the Compound
| Compound ID |
CP0560135
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| Compound Name |
N-[4-cyano-3-(trifluoromethyl)phenyl]-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
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| Structure |
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| Formula |
C28H25F3N4O2
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| Molecular Weight |
506.528
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| Canonical SMILES |
CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(c3)C(F)(F)F)ccc12
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| InChI |
InChI=1S/C28H25F3N4O2/c1-3-35-24-7-5-4-6-21(24)22-14-19(10-11-25(22)35)33-26(36)12-17(2)13-27(37)34-20-9-8-18(16-32)23(15-20)28(29,30)31/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,33,36)(H,34,37)
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| InChIKey |
YZXBADGLQJPLTF-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