General Information of the Compound
| Compound ID |
CP0375877
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| Compound Name |
N-(5-methyl-1H-pyrazol-3-yl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
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| Structure |
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| Formula |
C13H14N6S
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| Molecular Weight |
286.364
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| Canonical SMILES |
Cc1cc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)[nH]n1
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| InChI |
InChI=1S/C13H14N6S/c1-7-5-11(19-17-7)15-13-16-12-8-6-14-18-9(8)3-2-4-10(12)20-13/h5-6H,2-4H2,1H3,(H,14,18)(H2,15,16,17,19)
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| InChIKey |
GJMAJJZUVKDXAJ-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