General Information of the Compound
| Compound ID |
CP0138007
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| Compound Name |
N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
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| Structure |
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| Formula |
C16H21N3OS
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| Molecular Weight |
303.431
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| Canonical SMILES |
C(CNCC1CCc2ccccc2O1)CNc1nccs1
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| InChI |
InChI=1S/C16H21N3OS/c1-2-5-15-13(4-1)6-7-14(20-15)12-17-8-3-9-18-16-19-10-11-21-16/h1-2,4-5,10-11,14,17H,3,6-9,12H2,(H,18,19)
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| InChIKey |
MJWMXSYGNBDXJZ-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