General Information of the Compound
| Compound ID |
CP0484510
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| Compound Name |
US9018371, 2
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| Structure |
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| Formula |
C16H15Cl2N5O2S
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| Molecular Weight |
412.302
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| Canonical SMILES |
OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12
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| InChI |
InChI=1S/C16H15Cl2N5O2S/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1
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| InChIKey |
JQUBXCDDRXAMLF-PMPKIWSKSA-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