General Information of the Compound
| Compound ID |
CP0485363
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| Compound Name |
1-(1-allyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C23H22FN3O
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| Molecular Weight |
375.447
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| Canonical SMILES |
Fc1ccc2C(CC=C)C(CCc2c1)NC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C23H22FN3O/c1-2-4-20-18-9-8-17(24)13-15(18)7-10-22(20)27-23(28)26-21-6-3-5-16-14-25-12-11-19(16)21/h2-3,5-6,8-9,11-14,20,22H,1,4,7,10H2,(H2,26,27,28)
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| InChIKey |
GIZOKURWNNMZGN-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