General Information of the Compound
| Compound ID |
CP0539975
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| Compound Name |
2-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]pyridine-2,5-diamine
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| Structure |
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| Formula |
C21H30N4O
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| Molecular Weight |
354.498
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| Canonical SMILES |
Nc1ccc(NCCc2ccc(OCCCN3CCCCC3)cc2)nc1
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| InChI |
InChI=1S/C21H30N4O/c22-19-7-10-21(24-17-19)23-12-11-18-5-8-20(9-6-18)26-16-4-15-25-13-2-1-3-14-25/h5-10,17H,1-4,11-16,22H2,(H,23,24)
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| InChIKey |
SKLKYMNXKBBKKF-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