General Information of the Compound
| Compound ID |
CP0311008
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| Compound Name |
1-[3-[(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propyl]-3-methylurea
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| Structure |
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| Formula |
C29H30F3N3O3
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| Molecular Weight |
525.571
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| Canonical SMILES |
CNC(=O)NCCC[C@@]1(CCN([C@@H](C)c2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H30F3N3O3/c1-19(20-4-6-21(7-5-20)25-13-12-24(31)18-26(25)32)35-17-15-29(38-28(35)37,14-3-16-34-27(36)33-2)22-8-10-23(30)11-9-22/h4-13,18-19H,3,14-17H2,1-2H3,(H2,33,34,36)/t19-,29+/m0/s1
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| InChIKey |
RPFNAAPDFSAIEH-ADXZGYQBSA-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