General Information of the Compound
| Compound ID |
CP0539771
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| Compound Name |
1-[(4R)-7,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
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| Structure |
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| Formula |
C22H21F2N3O2
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| Molecular Weight |
397.425
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| Canonical SMILES |
Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)c(F)ccc34)cccc2cn1
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| InChI |
InChI=1S/C22H21F2N3O2/c1-12-9-15-13(11-25-12)5-4-6-17(15)26-21(28)27-18-10-22(2,3)29-20-14(18)7-8-16(23)19(20)24/h4-9,11,18H,10H2,1-3H3,(H2,26,27,28)/t18-/m1/s1
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| InChIKey |
IOEXPPPOEMRUCU-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