General Information of the Compound
| Compound ID |
CP0474849
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| Compound Name |
6-N,6-N-dimethyl-2-N-(5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-yl)pyridine-2,6-diamine
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| Structure |
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| Formula |
C16H18N6S
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| Molecular Weight |
326.429
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| Canonical SMILES |
CN(C)c1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
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| InChI |
InChI=1S/C16H18N6S/c1-22(2)14-8-4-7-13(18-14)19-16-20-15-10-9-17-21-11(10)5-3-6-12(15)23-16/h4,7-9H,3,5-6H2,1-2H3,(H,17,21)(H,18,19,20)
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| InChIKey |
XSEALTHDLJWVPC-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