General Information of the Compound
| Compound ID |
CP0460388
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| Compound Name |
4-(5-(4-(2-methoxyphenyl)piperazine-1-carbonyl)-1H-pyrazol-3-yl)benzonitrile
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| Structure |
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H21N5O2/c1-29-21-5-3-2-4-20(21)26-10-12-27(13-11-26)22(28)19-14-18(24-25-19)17-8-6-16(15-23)7-9-17/h2-9,14H,10-13H2,1H3,(H,24,25)
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| InChIKey |
XQGXKJCYVIVNHP-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