General Information of the Compound
| Compound ID |
CP0412388
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| Compound Name |
1-(6-fluoro-1-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C25H22FN3OS
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| Molecular Weight |
431.536
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| Canonical SMILES |
Fc1ccc2C(Cc3cccs3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C25H22FN3OS/c26-18-7-8-20-16(13-18)6-9-24(22(20)14-19-4-2-12-31-19)29-25(30)28-23-5-1-3-17-15-27-11-10-21(17)23/h1-5,7-8,10-13,15,22,24H,6,9,14H2,(H2,28,29,30)
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| InChIKey |
JKABFGLBOSYBEB-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