General Information of the Compound
| Compound ID |
CP0475162
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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-(2-methylpyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C28H32ClFN4O
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| Molecular Weight |
495.042
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| Canonical SMILES |
CC1CCCN1CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C28H32ClFN4O/c1-19-4-3-11-33(19)12-13-34(27(35)32-23-7-8-26(30)25(29)16-23)24-9-10-28(17-22(28)15-24)21-6-2-5-20(14-21)18-31/h2,5-8,14,16,19,22,24H,3-4,9-13,15,17H2,1H3,(H,32,35)/t19?,22?,24-,28-/m1/s1
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| InChIKey |
MREHXEUMQYTOBY-CAAXVKSHSA-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