General Information of the Compound
| Compound ID |
CP0510940
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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-2-pyridin-2-ylethanamine
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| Structure |
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| Formula |
C26H27ClN6
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| Molecular Weight |
458.997
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| Canonical SMILES |
CN(CCc1ccccn1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12
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| InChI |
InChI=1S/C26H27ClN6/c1-17-14-18(2)24(21(27)15-17)33-25-22(9-7-12-29-25)32-23(19(3)30-26(32)33)16-31(4)13-10-20-8-5-6-11-28-20/h5-9,11-12,14-15H,10,13,16H2,1-4H3
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| InChIKey |
IRWPFZHJKZQNRC-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