General Information of the Compound
| Compound ID |
CP0509647
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| Compound Name |
5-(3-chloro-4-fluorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione
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| Structure |
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| Formula |
C19H17ClFNS
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| Molecular Weight |
345.87
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| Canonical SMILES |
Fc1ccc(cc1Cl)-c1ccc2NC(=S)C3(CCCCC3)c2c1
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| InChI |
InChI=1S/C19H17ClFNS/c20-15-11-13(4-6-16(15)21)12-5-7-17-14(10-12)19(18(23)22-17)8-2-1-3-9-19/h4-7,10-11H,1-3,8-9H2,(H,22,23)
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| InChIKey |
RPVQAYHYKFTUNX-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