General Information of the Compound
| Compound ID |
CP0530701
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| Compound Name |
5-(3-chlorophenyl)spiro[1H-indole-3,1'-cyclobutane]-2-thione
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| Structure |
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| Formula |
C17H14ClNS
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| Molecular Weight |
299.826
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| Canonical SMILES |
Clc1cccc(c1)-c1ccc2NC(=S)C3(CCC3)c2c1
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| InChI |
InChI=1S/C17H14ClNS/c18-13-4-1-3-11(9-13)12-5-6-15-14(10-12)17(7-2-8-17)16(20)19-15/h1,3-6,9-10H,2,7-8H2,(H,19,20)
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| InChIKey |
NKQALBXOTQZTPF-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