General Information of the Compound
| Compound ID |
CP0379068
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-(diisopropylamino)ethyl)-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C29H37FN4O
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| Molecular Weight |
476.64
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| Canonical SMILES |
CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)cc1)C(C)C
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| InChI |
InChI=1S/C29H37FN4O/c1-20(2)33(21(3)4)14-15-34(28(35)32-26-10-8-25(30)9-11-26)27-12-13-29(18-24(29)17-27)23-7-5-6-22(16-23)19-31/h5-11,16,20-21,24,27H,12-15,17-18H2,1-4H3,(H,32,35)/t24?,27-,29-/m1/s1
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| InChIKey |
AKVJZFKVPXNHOT-SCANVSGJSA-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