General Information of the Compound
| Compound ID |
CP0464843
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| Compound Name |
2-[4-[4-[(E)-2-(3-chloro-5-pyridin-4-ylphenyl)ethenyl]phenyl]piperazin-1-yl]sulfonylacetonitrile
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| Structure |
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| Formula |
C25H23ClN4O2S
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| Molecular Weight |
479.005
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| Canonical SMILES |
Clc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)CC#N)cc(c1)-c1ccncc1
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| InChI |
InChI=1S/C25H23ClN4O2S/c26-24-18-21(17-23(19-24)22-7-10-28-11-8-22)2-1-20-3-5-25(6-4-20)29-12-14-30(15-13-29)33(31,32)16-9-27/h1-8,10-11,17-19H,12-16H2/b2-1+
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| InChIKey |
PULDBKKJCZWEDM-OWOJBTEDSA-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