General Information of the Compound
| Compound ID |
CP0535077
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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-methyl-1-pyridin-4-ylmethanamine
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| Structure |
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| Formula |
C25H25ClN6
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| Molecular Weight |
444.97
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| Canonical SMILES |
CN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)Cc1ccncc1
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| InChI |
InChI=1S/C25H25ClN6/c1-16-12-17(2)23(20(26)13-16)32-24-21(6-5-9-28-24)31-22(18(3)29-25(31)32)15-30(4)14-19-7-10-27-11-8-19/h5-13H,14-15H2,1-4H3
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| InChIKey |
OLTBZOFEOKPOBN-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