General Information of the Compound
| Compound ID |
CP0410398
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| Compound Name |
1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-ylurea
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| Structure |
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| Formula |
C21H20FN3O2
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| Molecular Weight |
365.408
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C21H20FN3O2/c1-21(2)11-18(16-10-14(22)6-7-19(16)27-21)25-20(26)24-17-5-3-4-13-12-23-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,24,25,26)/t18-/m1/s1
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| InChIKey |
FADLVMRJQZQOBL-GOSISDBHSA-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