General Information of the Compound
| Compound ID |
CP0525779
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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-(ethyl(2-hydroxyethyl)amino)ethyl)urea
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| Structure |
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| Formula |
C27H32ClFN4O2
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| Molecular Weight |
499.03
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| Canonical SMILES |
CCN(CCO)CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C27H32ClFN4O2/c1-2-32(12-13-34)10-11-33(26(35)31-22-6-7-25(29)24(28)16-22)23-8-9-27(17-21(27)15-23)20-5-3-4-19(14-20)18-30/h3-7,14,16,21,23,34H,2,8-13,15,17H2,1H3,(H,31,35)/t21?,23-,27-/m1/s1
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| InChIKey |
SYCUQEJOHPJJCG-OHUWNVLKSA-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