General Information of the Compound
| Compound ID |
CP0530700
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| Compound Name |
5-(3-chlorophenyl)-3,3-dimethyl-1H-indole-2-thione
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| Structure |
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| Formula |
C16H14ClNS
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| Molecular Weight |
287.815
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| Canonical SMILES |
CC1(C)C(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C16H14ClNS/c1-16(2)13-9-11(6-7-14(13)18-15(16)19)10-4-3-5-12(17)8-10/h3-9H,1-2H3,(H,18,19)
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| InChIKey |
LNVKSWCRKBGSFN-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