General Information of the Compound
| Compound ID |
CP0430926
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| Compound Name |
ethyl 2-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]acetate
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| Structure |
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| Formula |
C13H15N3O2S2
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| Molecular Weight |
309.416
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| Canonical SMILES |
CCOC(=O)CSc1nc(N)c2c3CCCc3sc2n1
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| InChI |
InChI=1S/C13H15N3O2S2/c1-2-18-9(17)6-19-13-15-11(14)10-7-4-3-5-8(7)20-12(10)16-13/h2-6H2,1H3,(H2,14,15,16)
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| InChIKey |
XNPLOJGSFOBVNS-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