General Information of the Compound
| Compound ID |
CP0950719
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| Compound Name |
SID99309111
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| Structure |
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| Formula |
C14H14ClN5O2S
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| Molecular Weight |
351.819
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| Canonical SMILES |
CNC(=S)N/N=C/c1c(C(=O)OC)cnn1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C14H14ClN5O2S/c1-16-14(23)19-17-8-12-11(13(21)22-2)7-18-20(12)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H2,16,19,23)/b17-8+
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| InChIKey |
WGQZMIDXIJRQIG-CAOOACKPSA-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