General Information of the Compound
| Compound ID |
CP0506466
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-4-yl)acetonitrile
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| Structure |
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| Formula |
C27H20Cl2N4O
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| Molecular Weight |
487.39
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C27H20Cl2N4O/c28-21-11-9-19(10-12-21)26-22(13-15-30)25(31-33(26)24-8-4-3-7-23(24)29)27(34)32-16-14-18-5-1-2-6-20(18)17-32/h1-12H,13-14,16-17H2
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| InChIKey |
UMSRMGGHAQPYRQ-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