General Information of the Compound
| Compound ID |
CP0412903
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| Compound Name |
1-(6-fluoro-1-(furan-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C25H22FN3O2
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| Molecular Weight |
415.468
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| Canonical SMILES |
Fc1ccc2C(Cc3ccoc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C25H22FN3O2/c26-19-5-6-20-17(13-19)4-7-24(22(20)12-16-9-11-31-15-16)29-25(30)28-23-3-1-2-18-14-27-10-8-21(18)23/h1-3,5-6,8-11,13-15,22,24H,4,7,12H2,(H2,28,29,30)
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| InChIKey |
MVMZTCPJMDJVMN-UHFFFAOYSA-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