General Information of the Compound
| Compound ID |
CP0888411
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| Compound Name |
3-{8-[(3,4-Dihydro-2H-chromen-2-ylmethyl)amino]octyl}-1,3-thiazolidine-2,4-dione Hydrochloride
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| Structure |
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| Formula |
C21H31ClN2O3S
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| Molecular Weight |
427.01
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| Canonical SMILES |
Cl.O=C1CSC(=O)N1CCCCCCCCNCC1CCc2ccccc2O1
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| InChI |
InChI=1S/C21H30N2O3S.ClH/c24-20-16-27-21(25)23(20)14-8-4-2-1-3-7-13-22-15-18-12-11-17-9-5-6-10-19(17)26-18;/h5-6,9-10,18,22H,1-4,7-8,11-16H2;1H
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| InChIKey |
DDVVFHDKVIBSFT-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