General Information of the Compound
| Compound ID |
CP0916304
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| Compound Name |
N-((R)-1-{4-[3-(3-Chloro-4-fluoro-phenyl)-1-(3''-cyano-biphenyl-4-yl)-ureido]-butyl}-pyrrolidin-3-yl)-acetamide
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| Structure |
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| Formula |
C30H31ClFN5O2
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| Molecular Weight |
548.062
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| Canonical SMILES |
CC(=O)N[C@@H]1CCN(CCCCN(C(=O)Nc2ccc(F)c(Cl)c2)c2ccc(-c3cccc(C#N)c3)cc2)C1
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| InChI |
InChI=1S/C30H31ClFN5O2/c1-21(38)34-26-13-16-36(20-26)14-2-3-15-37(30(39)35-25-9-12-29(32)28(31)18-25)27-10-7-23(8-11-27)24-6-4-5-22(17-24)19-33/h4-12,17-18,26H,2-3,13-16,20H2,1H3,(H,34,38)(H,35,39)/t26-/m1/s1
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| InChIKey |
JGPFRAZKWWKZBV-AREMUKBSSA-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