General Information of the Compound
| Compound ID |
CP0539775
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| Compound Name |
1-[(4R)-7-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-yl]-3-(7-fluoro-3-methylisoquinolin-5-yl)urea
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| Structure |
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| Formula |
C22H19ClF3N3O2
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| Molecular Weight |
449.86
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| Canonical SMILES |
Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cc(F)cc2cn1
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| InChI |
InChI=1S/C22H19ClF3N3O2/c1-12-4-17-13(9-27-12)5-15(26)7-18(17)28-21(30)29-19-8-22(10-24,11-25)31-20-6-14(23)2-3-16(19)20/h2-7,9,19H,8,10-11H2,1H3,(H2,28,29,30)/t19-/m1/s1
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| InChIKey |
VKHQXDJUMQQIOE-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