General Information of the Compound
| Compound ID |
CP0402011
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| Compound Name |
3-(naphthalen-1-ylsulfonyl)-1-(pyrrolidin-3-yl)-1H-indole
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| Structure |
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| Formula |
C22H20N2O2S
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| Molecular Weight |
376.481
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| Canonical SMILES |
O=S(=O)(c1cn(C2CCNC2)c2ccccc12)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H20N2O2S/c25-27(26,21-11-5-7-16-6-1-2-8-18(16)21)22-15-24(17-12-13-23-14-17)20-10-4-3-9-19(20)22/h1-11,15,17,23H,12-14H2
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| InChIKey |
QVDOCCNOCBQREJ-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