General Information of the Compound
| Compound ID |
CP0529930
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| Compound Name |
[3-oxo-3-[3-(pyridine-2-carbonylamino)anilino]propyl] morpholine-4-carbodithioate
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| Structure |
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| Formula |
C20H22N4O3S2
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| Molecular Weight |
430.555
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| Canonical SMILES |
O=C(CCSC(=S)N1CCOCC1)Nc1cccc(NC(=O)c2ccccn2)c1
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| InChI |
InChI=1S/C20H22N4O3S2/c25-18(7-13-29-20(28)24-9-11-27-12-10-24)22-15-4-3-5-16(14-15)23-19(26)17-6-1-2-8-21-17/h1-6,8,14H,7,9-13H2,(H,22,25)(H,23,26)
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| InChIKey |
MSASIOFNXFWJAL-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