General Information of the Compound
| Compound ID |
CP0458889
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(2,6-dichloropyridin-4-yl)-1-(2-(2-fluoroethylamino)ethyl)urea
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| Structure |
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| Formula |
C24H26Cl2FN5O
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| Molecular Weight |
490.41
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| Canonical SMILES |
FCCNCCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(Cl)nc(Cl)c1
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| InChI |
InChI=1S/C24H26Cl2FN5O/c25-21-12-19(13-22(26)31-21)30-23(33)32(9-8-29-7-6-27)20-4-5-24(14-18(24)11-20)17-3-1-2-16(10-17)15-28/h1-3,10,12-13,18,20,29H,4-9,11,14H2,(H,30,31,33)/t18?,20-,24-/m1/s1
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| InChIKey |
PYMMJBIDAKHWTG-YIDNPFNZSA-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