General Information of the Compound
| Compound ID |
CP0378295
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| Compound Name |
1-(2-(4-fluorophenyl)-3-(3-(trifluoromethyl)phenyl)propyl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C26H21F4N3O
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| Molecular Weight |
467.466
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| Canonical SMILES |
Fc1ccc(cc1)C(CNC(=O)Nc1cccc2cnccc12)Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F4N3O/c27-22-9-7-18(8-10-22)20(13-17-3-1-5-21(14-17)26(28,29)30)16-32-25(34)33-24-6-2-4-19-15-31-12-11-23(19)24/h1-12,14-15,20H,13,16H2,(H2,32,33,34)
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| InChIKey |
BKSIRQSVWMUQPN-UHFFFAOYSA-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