General Information of the Compound
| Compound ID |
CP0471588
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-1H-pyrazol-4-yl)acetonitrile
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| Structure |
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| Formula |
C26H21Cl2N7O
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| Molecular Weight |
518.408
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)N1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C26H21Cl2N7O/c27-19-8-6-18(7-9-19)24-20(10-11-29)23(32-35(24)22-5-2-1-4-21(22)28)25(36)33-14-16-34(17-15-33)26-30-12-3-13-31-26/h1-9,12-13H,10,14-17H2
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| InChIKey |
DFQBPUMPONTPNH-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