General Information of the Compound
| Compound ID |
CP0467742
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| Compound Name |
N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C24H30N6O3
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| Molecular Weight |
450.543
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| Canonical SMILES |
CN(C(=O)N1CCN(C)CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)N1CCCCC1
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| InChI |
InChI=1S/C24H30N6O3/c1-27-12-14-30(15-13-27)24(32)28(2)18-6-8-20(21(16-18)29-10-4-3-5-11-29)26-23(31)22-9-7-19(17-25)33-22/h6-9,16H,3-5,10-15H2,1-2H3,(H,26,31)
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| InChIKey |
NRVCJJDVPMSERN-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