General Information of the Compound
| Compound ID |
CP0455030
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| Compound Name |
3-[2-(1H-pyrrol-2-ylsulfanyl)ethyl]-1H-indole
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| Structure |
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| Formula |
C14H14N2S
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| Molecular Weight |
242.347
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| Canonical SMILES |
C(Cc1c[nH]c2ccccc12)Sc1ccc[nH]1
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| InChI |
InChI=1S/C14H14N2S/c1-2-5-13-12(4-1)11(10-16-13)7-9-17-14-6-3-8-15-14/h1-6,8,10,15-16H,7,9H2
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| InChIKey |
AIAWOYMIYLQRCW-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