General Information of the Compound
| Compound ID |
CP0329463
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| Compound Name |
N-[(3-cyclohexyl-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 |
C17H21N5O
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| Molecular Weight |
311.389
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| Canonical SMILES |
CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
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| InChI |
InChI=1S/C17H21N5O/c1-11(23)19-10-15-21-14-9-20-17-13(7-8-18-17)16(14)22(15)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,20)(H,19,23)
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| InChIKey |
NYSSZLMKUOFTKG-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