General Information of the Compound
| Compound ID |
CP0544323
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| Compound Name |
6-[3-(methoxymethyl)azetidin-1-yl]-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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| Structure |
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| Formula |
C16H18N4OS
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| Molecular Weight |
314.414
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| Canonical SMILES |
COCC1CN(C1)c1ncnc2c1sc1nc(C)cc(C)c21
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| InChI |
InChI=1S/C16H18N4OS/c1-9-4-10(2)19-16-12(9)13-14(22-16)15(18-8-17-13)20-5-11(6-20)7-21-3/h4,8,11H,5-7H2,1-3H3
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| InChIKey |
RPUPXLDSACGGAH-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