General Information of the Compound
| Compound ID |
CP0427525
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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-morpholinoethyl)urea
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| Structure |
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| Formula |
C27H30ClFN4O2
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| Molecular Weight |
497.014
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| Canonical SMILES |
Fc1ccc(NC(=O)N(CCN2CCOCC2)[C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)cc1Cl
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| InChI |
InChI=1S/C27H30ClFN4O2/c28-24-16-22(4-5-25(24)29)31-26(34)33(9-8-32-10-12-35-13-11-32)23-6-7-27(17-21(27)15-23)20-3-1-2-19(14-20)18-30/h1-5,14,16,21,23H,6-13,15,17H2,(H,31,34)/t21?,23-,27-/m1/s1
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| InChIKey |
LLQADHMRQFCPRK-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