General Information of the Compound
| Compound ID |
CP0963449
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| Compound Name |
N-(5-cyano-2-(4-(thiophen-3-ylmethyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C23H23N5O2S
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| Molecular Weight |
433.537
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(Cc2ccsc2)CC1
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| InChI |
InChI=1S/C23H23N5O2S/c1-30-23-19(3-2-7-25-23)22(29)26-20-13-17(14-24)4-5-21(20)28-10-8-27(9-11-28)15-18-6-12-31-16-18/h2-7,12-13,16H,8-11,15H2,1H3,(H,26,29)
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| InChIKey |
UVAABSBJENDPPA-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