General Information of the Compound
| Compound ID |
CP0506478
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| Compound Name |
methyl 6-(5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-ylamino)pyridine-2-carboxylate
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| Structure |
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| Formula |
C16H15N5O2S
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| Molecular Weight |
341.396
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| Canonical SMILES |
COC(=O)c1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
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| InChI |
InChI=1S/C16H15N5O2S/c1-23-15(22)11-5-3-7-13(18-11)19-16-20-14-9-8-17-21-10(9)4-2-6-12(14)24-16/h3,5,7-8H,2,4,6H2,1H3,(H,17,21)(H,18,19,20)
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| InChIKey |
MDKSGTAVWYJXII-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