General Information of the Compound
| Compound ID |
CP0526591
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| Compound Name |
N-[[7-(2-chloro-4,6-dimethylphenyl)-4-methyl-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]-N-ethylethanamine
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| Structure |
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| Formula |
C22H26ClN5
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| Molecular Weight |
395.938
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| Canonical SMILES |
CCN(CC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12
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| InChI |
InChI=1S/C22H26ClN5/c1-6-26(7-2)13-19-16(5)25-22-27(19)18-9-8-10-24-21(18)28(22)20-15(4)11-14(3)12-17(20)23/h8-12H,6-7,13H2,1-5H3
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| InChIKey |
YZIUGCXVOBYLBK-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