General Information of the Compound
| Compound ID |
CP0430230
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| Compound Name |
4-[5-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylisoquinoline
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| Structure |
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| Formula |
C22H18ClN3O2S
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| Molecular Weight |
423.925
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| Canonical SMILES |
Clc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1cncc2ccccc12
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| InChI |
InChI=1S/C22H18ClN3O2S/c23-17-5-6-21-19(11-17)20(15-7-9-24-10-8-15)14-26(21)29(27,28)22-13-25-12-16-3-1-2-4-18(16)22/h1-7,11-14,24H,8-10H2
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| InChIKey |
BUZCVUOSQNPFAP-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