General Information of the Compound
| Compound ID |
CP0423097
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| Compound Name |
3-amino-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C19H25N3O3
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| Molecular Weight |
343.427
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| Canonical SMILES |
Nc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O
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| InChI |
InChI=1S/C19H25N3O3/c20-16-17(19(24)18(16)23)21-8-5-11-25-15-7-4-6-14(12-15)13-22-9-2-1-3-10-22/h4,6-7,12,21H,1-3,5,8-11,13,20H2
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| InChIKey |
KSBYXRUNSLGUNE-UHFFFAOYSA-N
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| CAS |
86134-80-7
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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