General Information of the Compound
| Compound ID |
CP0406467
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| Compound Name |
5'-(3-chlorophenyl)-1'-methylspiro[cyclohexane-1,3'-indole]-2'-thione
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| Structure |
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| Formula |
C20H20ClNS
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| Molecular Weight |
341.907
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| Canonical SMILES |
CN1C(=S)C2(CCCCC2)c2cc(ccc12)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H20ClNS/c1-22-18-9-8-15(14-6-5-7-16(21)12-14)13-17(18)20(19(22)23)10-3-2-4-11-20/h5-9,12-13H,2-4,10-11H2,1H3
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| InChIKey |
YUHUDFNACGMAST-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