General Information of the Compound
| Compound ID |
CP0428710
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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-((1-(methylsulfonyl)piperidin-2-yl)methyl)urea
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| Structure |
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| Formula |
C28H32ClFN4O3S
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| Molecular Weight |
559.107
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| Canonical SMILES |
CS(=O)(=O)N1CCCCC1CN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C28H32ClFN4O3S/c1-38(36,37)34-12-3-2-7-24(34)18-33(27(35)32-22-8-9-26(30)25(29)15-22)23-10-11-28(16-21(28)14-23)20-6-4-5-19(13-20)17-31/h4-6,8-9,13,15,21,23-24H,2-3,7,10-12,14,16,18H2,1H3,(H,32,35)/t21?,23-,24?,28-/m1/s1
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| InChIKey |
KIUZGKUUFUXQIP-CEIJCFAWSA-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