General Information of the Compound
| Compound ID |
CP0011283
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| Compound Name |
2-(5,5-dimethyl-3-pyridin-4-yl-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)benzonitrile
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| Structure |
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| Formula |
C20H18N4
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| Molecular Weight |
314.392
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| Canonical SMILES |
CC1(C)Cc2c(c(nn2C1)-c1ccccc1C#N)-c1ccncc1
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| InChI |
InChI=1S/C20H18N4/c1-20(2)11-17-18(14-7-9-22-10-8-14)19(23-24(17)13-20)16-6-4-3-5-15(16)12-21/h3-10H,11,13H2,1-2H3
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| InChIKey |
QRJCQQTTXWLPAF-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