General Information of the Compound
| Compound ID |
CP0011282
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| Compound Name |
2-[3-(4-hydroxyphenyl)-4,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]benzonitrile
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| Structure |
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| Formula |
C22H21N3O
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| Molecular Weight |
343.43
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| Canonical SMILES |
CC1c2c(c(nn2CC1(C)C)-c1ccccc1C#N)-c1ccc(O)cc1
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| InChI |
InChI=1S/C22H21N3O/c1-14-21-19(15-8-10-17(26)11-9-15)20(24-25(21)13-22(14,2)3)18-7-5-4-6-16(18)12-23/h4-11,14,26H,13H2,1-3H3
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| InChIKey |
UFJPMGDCRVLIOC-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