General Information of the Compound
| Compound ID |
CP0427526
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-(4-hydroxypiperidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C28H32ClFN4O2
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| Molecular Weight |
511.041
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| Canonical SMILES |
OC1CCN(CCN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C28H32ClFN4O2/c29-25-16-22(4-5-26(25)30)32-27(36)34(13-12-33-10-7-24(35)8-11-33)23-6-9-28(17-21(28)15-23)20-3-1-2-19(14-20)18-31/h1-5,14,16,21,23-24,35H,6-13,15,17H2,(H,32,36)/t21?,23-,28-/m1/s1
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| InChIKey |
COMWFMDCRQAMIR-FYNBBIHMSA-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