General Information of the Compound
| Compound ID |
CP0560785
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| Compound Name |
4-[(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-4-methyl-3-phenyl-2H-chromen-6-yl]morpholine
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| Structure |
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| Formula |
C32H35FN2O3
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| Molecular Weight |
514.641
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| Canonical SMILES |
CC1=C([C@@H](Oc2ccc(cc12)N1CCOCC1)c1ccc(OCCN2CC(CF)C2)cc1)c1ccccc1
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| InChI |
InChI=1S/C32H35FN2O3/c1-23-29-19-27(35-14-16-36-17-15-35)9-12-30(29)38-32(31(23)25-5-3-2-4-6-25)26-7-10-28(11-8-26)37-18-13-34-21-24(20-33)22-34/h2-12,19,24,32H,13-18,20-22H2,1H3/t32-/m0/s1
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| InChIKey |
AZCHNSOMCSUEKL-YTTGMZPUSA-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