General Information of the Compound
| Compound ID |
CP0426744
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| Compound Name |
3-[4-(4-cyclobutyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]propanenitrile
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| Structure |
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| Formula |
C20H24N6
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| Molecular Weight |
348.454
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| Canonical SMILES |
N#CCCN1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)C1CCC1
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| InChI |
InChI=1S/C20H24N6/c21-8-2-10-25-11-6-15(7-12-25)26-18-16-5-9-22-19(16)23-13-17(18)24-20(26)14-3-1-4-14/h5,9,13-15H,1-4,6-7,10-12H2,(H,22,23)
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| InChIKey |
OCIRMEXSJHOKRZ-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