General Information of the Compound
| Compound ID |
CP0445065
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| Compound Name |
1-(1-(4-(trifluoromethyl)benzyl)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C28H23F4N3O
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| Molecular Weight |
493.504
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| Canonical SMILES |
Fc1ccc2C(Cc3ccc(cc3)C(F)(F)F)C(CCc2c1)NC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C28H23F4N3O/c29-21-9-10-22-18(15-21)6-11-26(24(22)14-17-4-7-20(8-5-17)28(30,31)32)35-27(36)34-25-3-1-2-19-16-33-13-12-23(19)25/h1-5,7-10,12-13,15-16,24,26H,6,11,14H2,(H2,34,35,36)
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| InChIKey |
QZVYUUWIXJXMEH-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