General Information of the Compound
| Compound ID |
CP0510939
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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]pentan-2-amine
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| Structure |
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| Formula |
C23H28ClN5
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| Molecular Weight |
409.965
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| Canonical SMILES |
CCCC(C)NCc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12
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| InChI |
InChI=1S/C23H28ClN5/c1-6-8-16(4)26-13-20-17(5)27-23-28(20)19-9-7-10-25-22(19)29(23)21-15(3)11-14(2)12-18(21)24/h7,9-12,16,26H,6,8,13H2,1-5H3
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| InChIKey |
ONDUHIVLSKFFMU-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