General Information of the Compound
| Compound ID |
CP0528141
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| Compound Name |
N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
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| Structure |
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| Formula |
C20H17N7S
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| Molecular Weight |
387.472
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NCc3ccc(nc3)-n3ccnc3)ncnc21
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| InChI |
InChI=1S/C20H17N7S/c1-12-7-13(2)26-20-16(12)17-18(28-20)19(25-10-24-17)23-9-14-3-4-15(22-8-14)27-6-5-21-11-27/h3-8,10-11H,9H2,1-2H3,(H,23,24,25)
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| InChIKey |
SBWLKUMUVQEXMF-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