General Information of the Compound
| Compound ID |
CP0359996
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| Compound Name |
N-ethyl-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
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| Structure |
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| Formula |
C16H17N7
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| Molecular Weight |
307.361
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| Canonical SMILES |
CCNc1ccc2nnc([C@@H](C)c3c[nH]c4ncccc34)n2n1
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| InChI |
InChI=1S/C16H17N7/c1-3-17-13-6-7-14-20-21-16(23(14)22-13)10(2)12-9-19-15-11(12)5-4-8-18-15/h4-10H,3H2,1-2H3,(H,17,22)(H,18,19)/t10-/m0/s1
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| InChIKey |
BATGVEFXCKJLAL-JTQLQIEISA-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