General Information of the Compound
| Compound ID |
CP0574602
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| Compound Name |
5-[3-[(E)-3-[4-(morpholin-4-ylmethyl)anilino]-3-oxoprop-1-enyl]pyridin-4-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C24H24N4O3S
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| Molecular Weight |
448.548
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| Canonical SMILES |
NC(=O)c1ccc(s1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C24H24N4O3S/c25-24(30)22-7-6-21(32-22)20-9-10-26-15-18(20)3-8-23(29)27-19-4-1-17(2-5-19)16-28-11-13-31-14-12-28/h1-10,15H,11-14,16H2,(H2,25,30)(H,27,29)/b8-3+
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| InChIKey |
CKYHGLQQZNNTMG-FPYGCLRLSA-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