General Information of the Compound
| Compound ID |
CP0001533
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| Compound Name |
2-(3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)furan-3-carbonitrile
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| Structure |
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| Formula |
C13H15N3O2
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| Molecular Weight |
245.282
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| Canonical SMILES |
O=C(N1CC2CNCC(C2)C1)c1occc1C#N
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| InChI |
InChI=1S/C13H15N3O2/c14-4-11-1-2-18-12(11)13(17)16-7-9-3-10(8-16)6-15-5-9/h1-2,9-10,15H,3,5-8H2
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| InChIKey |
FUTCURITYYGPTL-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