General Information of the Compound
| Compound ID |
CP0909905
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| Compound Name |
N-(5-cyano-2-(4-(2-methoxybenzyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C26H27N5O3
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| Molecular Weight |
457.534
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| Canonical SMILES |
COc1ccccc1CN1CCN(c2ccc(C#N)cc2NC(=O)c2cccnc2OC)CC1
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| InChI |
InChI=1S/C26H27N5O3/c1-33-24-8-4-3-6-20(24)18-30-12-14-31(15-13-30)23-10-9-19(17-27)16-22(23)29-25(32)21-7-5-11-28-26(21)34-2/h3-11,16H,12-15,18H2,1-2H3,(H,29,32)
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| InChIKey |
FCHNHBDROJNRKM-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