General Information of the Compound
| Compound ID |
CP0545347
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| Compound Name |
1-[(2S)-3-(4-cyanophenyl)-1-(7-fluoro-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C28H26F2N4O2
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| Molecular Weight |
488.538
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| Canonical SMILES |
CC1(C)CN(Cc2cc(F)ccc12)C(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C28H26F2N4O2/c1-28(2)17-34(16-20-14-22(30)9-12-24(20)28)26(35)25(13-18-3-5-19(15-31)6-4-18)33-27(36)32-23-10-7-21(29)8-11-23/h3-12,14,25H,13,16-17H2,1-2H3,(H2,32,33,36)/t25-/m0/s1
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| InChIKey |
VIPWDJIMPQTSHD-VWLOTQADSA-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
Protein ID: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2