General Information of the Compound
| Compound ID |
CP0513980
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-4-yl)acetonitrile
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| Structure |
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| Formula |
C28H19Cl2F3N4O
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| Molecular Weight |
555.387
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| Canonical SMILES |
FC(F)(F)c1ccc2CCN(Cc2c1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C28H19Cl2F3N4O/c29-21-9-6-18(7-10-21)26-22(11-13-34)25(35-37(26)24-4-2-1-3-23(24)30)27(38)36-14-12-17-5-8-20(28(31,32)33)15-19(17)16-36/h1-10,15H,11-12,14,16H2
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| InChIKey |
OAQQRLGMKZEVFV-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