General Information of the Compound
| Compound ID |
CP0513981
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(2-(4-fluorophenyl)pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl)acetonitrile
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| Structure |
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| Formula |
C28H21Cl2FN4O
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| Molecular Weight |
519.407
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| Canonical SMILES |
Fc1ccc(cc1)C1CCCN1C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C28H21Cl2FN4O/c29-20-11-7-19(8-12-20)27-22(15-16-32)26(33-35(27)25-5-2-1-4-23(25)30)28(36)34-17-3-6-24(34)18-9-13-21(31)14-10-18/h1-2,4-5,7-14,24H,3,6,15,17H2
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| InChIKey |
JNYPFLGHBZFJQG-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