General Information of the Compound
| Compound ID |
CP0379347
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| Compound Name |
1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
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| Structure |
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| Formula |
C26H30FN3O2
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| Molecular Weight |
435.543
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| Canonical SMILES |
CCCC1(CCC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cccc(F)c2O1
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| InChI |
InChI=1S/C26H30FN3O2/c1-4-12-26(13-5-2)15-23(19-9-7-10-21(27)24(19)32-26)30-25(31)29-22-11-6-8-18-16-28-17(3)14-20(18)22/h6-11,14,16,23H,4-5,12-13,15H2,1-3H3,(H2,29,30,31)/t23-/m1/s1
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| InChIKey |
OJPHAHBZLDUZLU-HSZRJFAPSA-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