General Information of the Compound
| Compound ID |
CP0555334
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| Compound Name |
1-[(4R)-7-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-yl]-3-[3-methyl-7-(trifluoromethyl)isoquinolin-5-yl]urea
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| Structure |
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| Formula |
C23H19ClF5N3O2
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| Molecular Weight |
499.867
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| Canonical SMILES |
Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cc(cc2cn1)C(F)(F)F
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| InChI |
InChI=1S/C23H19ClF5N3O2/c1-12-4-17-13(9-30-12)5-14(23(27,28)29)6-18(17)31-21(33)32-19-8-22(10-25,11-26)34-20-7-15(24)2-3-16(19)20/h2-7,9,19H,8,10-11H2,1H3,(H2,31,32,33)/t19-/m1/s1
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| InChIKey |
TYXKMSIFKMJFJH-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