General Information of the Compound
| Compound ID |
CP0488285
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| Compound Name |
[6-(5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-ylamino)pyridin-2-yl]methanol
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| Structure |
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| Formula |
C15H15N5OS
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| Molecular Weight |
313.386
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| Canonical SMILES |
OCc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
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| InChI |
InChI=1S/C15H15N5OS/c21-8-9-3-1-6-13(17-9)18-15-19-14-10-7-16-20-11(10)4-2-5-12(14)22-15/h1,3,6-7,21H,2,4-5,8H2,(H,16,20)(H,17,18,19)
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| InChIKey |
HARJKKLNULHFFS-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