General Information of the Compound
| Compound ID |
CP0256729
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| Compound Name |
N,N-dimethyl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanamine
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| Structure |
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| Formula |
C21H21N9
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| Molecular Weight |
399.462
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| Canonical SMILES |
CN(C)CCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C21H21N9/c1-28(2)8-9-29-14-17(11-24-29)19-12-23-20-21(25-19)30(27-26-20)13-15-5-6-18-16(10-15)4-3-7-22-18/h3-7,10-12,14H,8-9,13H2,1-2H3
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| InChIKey |
BWWZBAPDCWXGKS-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