General Information of the Compound
| Compound ID |
CP0425141
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| Compound Name |
1-(2-(3-acetamidopyrrolidin-1-yl)ethyl)-3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)urea
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| Structure |
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| Formula |
C29H33ClFN5O2
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| Molecular Weight |
538.067
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| Canonical SMILES |
CC(=O)NC1CCN(CCN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1
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| InChI |
InChI=1S/C29H33ClFN5O2/c1-19(37)33-24-8-10-35(18-24)11-12-36(28(38)34-23-5-6-27(31)26(30)15-23)25-7-9-29(16-22(29)14-25)21-4-2-3-20(13-21)17-32/h2-6,13,15,22,24-25H,7-12,14,16,18H2,1H3,(H,33,37)(H,34,38)/t22?,24?,25-,29-/m1/s1
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| InChIKey |
VYOBEEVHHNSQFO-FENLZTJTSA-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