General Information of the Compound
| Compound ID |
CP0101124
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| Compound Name |
1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydro-2'H-thiochromene)]
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| Structure |
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| Formula |
C20H23NS
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| Molecular Weight |
309.478
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| Canonical SMILES |
C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1
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| InChI |
InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2
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| InChIKey |
FPSFVONLLBIZFK-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