General Information of the Compound
| Compound ID |
CP0411437
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| Compound Name |
1-[(4R)-2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-ylurea
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| Structure |
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| Formula |
C23H24FN3O2
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| Molecular Weight |
393.462
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C23H24FN3O2/c1-3-23(4-2)13-20(18-12-16(24)8-9-21(18)29-23)27-22(28)26-19-7-5-6-15-14-25-11-10-17(15)19/h5-12,14,20H,3-4,13H2,1-2H3,(H2,26,27,28)/t20-/m1/s1
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| InChIKey |
SQDHZRJWYDAANI-HXUWFJFHSA-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