General Information of the Compound
| Compound ID |
CP0487703
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| Compound Name |
1-[(4R)-7-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-yl]-3-(3,6-dimethylisoquinolin-5-yl)urea
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| Structure |
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| Formula |
C23H22ClF2N3O2
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| Molecular Weight |
445.897
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| Canonical SMILES |
Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)c(C)ccc2cn1
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| InChI |
InChI=1S/C23H22ClF2N3O2/c1-13-3-4-15-10-27-14(2)7-18(15)21(13)29-22(30)28-19-9-23(11-25,12-26)31-20-8-16(24)5-6-17(19)20/h3-8,10,19H,9,11-12H2,1-2H3,(H2,28,29,30)/t19-/m1/s1
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| InChIKey |
VSNUIGFDWACQRA-LJQANCHMSA-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