General Information of the Compound
| Compound ID |
CP0204289
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| Compound Name |
N-[[3-(2-bicyclo[2.2.1]heptanyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]acetamide
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| Structure |
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| Formula |
C18H21N5O
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| Molecular Weight |
323.4
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| Canonical SMILES |
CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2
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| InChI |
InChI=1S/C18H21N5O/c1-10(24)20-9-16-22-14-8-21-18-13(4-5-19-18)17(14)23(16)15-7-11-2-3-12(15)6-11/h4-5,8,11-12,15H,2-3,6-7,9H2,1H3,(H,19,21)(H,20,24)
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| InChIKey |
LPYMOKHINZPBSQ-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