General Information of the Compound
| Compound ID |
CP0533032
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-((R)-3-(4-fluorobenzyloxy)pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl)acetonitrile
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| Structure |
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| Formula |
C29H23Cl2FN4O2
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| Molecular Weight |
549.433
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| Canonical SMILES |
Fc1ccc(CO[C@@H]2CCN(C2)C(=O)c2nn(c(c2CC#N)-c2ccc(Cl)cc2)-c2ccccc2Cl)cc1
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| InChI |
InChI=1S/C29H23Cl2FN4O2/c30-21-9-7-20(8-10-21)28-24(13-15-33)27(34-36(28)26-4-2-1-3-25(26)31)29(37)35-16-14-23(17-35)38-18-19-5-11-22(32)12-6-19/h1-12,23H,13-14,16-18H2/t23-/m1/s1
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| InChIKey |
XXSLJISEFOLKBX-HSZRJFAPSA-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