General Information of the Compound
| Compound ID |
CP0256088
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| Compound Name |
N-[(7-ethyl-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
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| Structure |
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| Formula |
C19H30N4O
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| Molecular Weight |
330.476
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| Canonical SMILES |
CCc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1
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| InChI |
InChI=1S/C19H30N4O/c1-2-15-5-6-16-7-8-17(24-18(16)13-15)14-20-9-3-10-21-19-22-11-4-12-23-19/h5-6,13,17,20H,2-4,7-12,14H2,1H3,(H2,21,22,23)
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| InChIKey |
LLCUWOGFLPVSHF-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