General Information of the Compound
| Compound ID |
CP0958819
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| Compound Name |
(cis)-3-(4-(6-(1H-Pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)-3-(cyanomethyl)cyclobutane-1-carbonitrile
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| Formula |
C19H15N9
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| Molecular Weight |
369.392
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| Canonical SMILES |
N#CC[C@]1(n2cc(-c3nc(-c4cc[nH]n4)cn4nccc34)cn2)C[C@@H](C#N)C1
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| InChI |
InChI=1S/C19H15N9/c20-4-3-19(7-13(8-19)9-21)28-11-14(10-24-28)18-17-2-6-23-27(17)12-16(25-18)15-1-5-22-26-15/h1-2,5-6,10-13H,3,7-8H2,(H,22,26)/t13-,19+
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| InChIKey |
CCSVAVWZJWQMCI-XVDXERDNSA-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