General Information of the Compound
| Compound ID |
CP0528036
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| Compound Name |
N-[4-(4-acetylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-cyano-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C24H30N6O2
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| Molecular Weight |
434.544
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| Canonical SMILES |
CC1CCN(CC1)c1cc(ccc1NC(=O)c1cc(c[nH]1)C#N)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C24H30N6O2/c1-17-5-7-30(8-6-17)23-14-20(29-11-9-28(10-12-29)18(2)31)3-4-21(23)27-24(32)22-13-19(15-25)16-26-22/h3-4,13-14,16-17,26H,5-12H2,1-2H3,(H,27,32)
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| InChIKey |
QGPHKAQQVJRELW-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