General Information of the Compound
| Compound ID |
CP0223091
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| Compound Name |
3-methoxy-5-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C22H24N4O2S
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| Molecular Weight |
408.527
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| Canonical SMILES |
COc1cc(sc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C22H24N4O2S/c1-14-17(15-3-5-16(6-4-15)26-9-7-24-8-10-26)12-25-13-18(14)20-11-19(28-2)21(29-20)22(23)27/h3-6,11-13,24H,7-10H2,1-2H3,(H2,23,27)
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| InChIKey |
HPZXWEUZOCTISB-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