General Information of the Compound
| Compound ID |
CP0287002
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| Compound Name |
N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
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| Structure |
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| Formula |
C16H24N4O
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| Molecular Weight |
288.395
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| Canonical SMILES |
C(CNC1=NCCCN1)NCC1CCc2ccccc2O1
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| InChI |
InChI=1S/C16H24N4O/c1-2-5-15-13(4-1)6-7-14(21-15)12-17-10-11-20-16-18-8-3-9-19-16/h1-2,4-5,14,17H,3,6-12H2,(H2,18,19,20)
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| InChIKey |
FKZNAPFOWQIIQM-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