General Information of the Compound
| Compound ID |
CP0554120
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| Compound Name |
11,13-dimethyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]-8-thia-5,10-diazatricyclo[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 |
C20H17F3N6S
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| Molecular Weight |
430.459
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(NC3CN(C3)c3ncc(cn3)C(F)(F)F)nccc21
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| InChI |
InChI=1S/C20H17F3N6S/c1-10-5-11(2)27-18-15(10)14-3-4-24-17(16(14)30-18)28-13-8-29(9-13)19-25-6-12(7-26-19)20(21,22)23/h3-7,13H,8-9H2,1-2H3,(H,24,28)
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| InChIKey |
IIPGNBVNEZAGRM-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