General Information of the Compound
| Compound ID |
CP0198315
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| Compound Name |
1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoromethyl-phenyl)-1-(2-pyrrolidin-1-yl-ethyl)-urea
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| Structure |
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| Formula |
C27H24F4N4O
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| Molecular Weight |
496.508
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| Canonical SMILES |
Fc1cc(NC(=O)N(CCN2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)ccc1C(F)(F)F
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| InChI |
InChI=1S/C27H24F4N4O/c28-25-17-22(8-11-24(25)27(29,30)31)33-26(36)35(15-14-34-12-1-2-13-34)23-9-6-20(7-10-23)21-5-3-4-19(16-21)18-32/h3-11,16-17H,1-2,12-15H2,(H,33,36)
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| InChIKey |
XEZTZOZLTARYHV-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